Gaussian 09 GINC-KIMIK2068 CBGUSER 000144069 EM64L-G09RevD.01 19-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 50.0388 0 1 AuxInfo=1/0/N:2,4,3,1/CRV:3.3,4.2/rA:11N2CC3CHHHHHHH/rB:;s1s2;s1;s2;s2;s2;s3;s4;s4;s4;/rC:;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-24727.inp" -scrdir="/scratch/" chk=000144069.chk nprocshared=4 mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000144069 1 2 3 4 5 6 7 8 9 10 11 14 12 12 12 1 1 1 1 1 1 1 14.0030740 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 0 0 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 1 1 2 2 2 2 3 4 4 4 3 4 3 5 6 7 8 9 10 11 1.2869 1.4599 1.4963 1.093 1.093 1.0926 1.1044 1.0957 1.0949 1.0943 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 3 3 3 3 5 5 6 1 1 2 1 1 1 9 9 10 1 2 2 2 2 2 2 3 3 3 4 4 4 4 4 4 4 5 6 7 6 7 7 2 8 8 9 10 11 10 11 11 113.3156 108.8609 108.8582 111.0786 108.6601 109.6709 109.6674 120.6754 122.5657 116.7589 111.8964 110.8361 109.0763 109.5023 107.5077 107.8822 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 4 4 3 3 3 5 5 6 6 7 7 1 1 1 1 1 2 2 2 2 2 2 3 3 4 4 4 3 3 3 3 3 3 2 8 9 10 11 1 8 1 8 1 8 -179.8666 0.2444 50.4916 -72.0522 169.3114 121.0306 -59.0742 -120.6772 59.218 0.1737 -179.9311 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 47 100 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 11 11 11 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3675 LenC2= 738 LenP2D= 2969. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 54 RedAO= T EigKep= 5.73D-03 NBF= 54 NBsUse= 54 1.00D-06 EigRej= -1.00D+00 NBFU= 54 Using GEDIIS/GDIIS optimizer. local minimum Step number 8 out of a maximum of 47 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00402 0.00807 0.01818 0.04583 0.07306 0.07370 0.08850 0.10239 0.14896 0.15858 0.15998 0.16003 0.16061 0.16449 0.16522 0.22104 0.28237 0.32295 0.32726 0.33643 0.33992 0.34253 0.34430 0.34483 0.34511 0.43052 0.76058 RFO step: Lambda=-1.62561834D-07. 1 2 0.00057972 0.00000071 0.00000052 0.00000017 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 2.45798 2.78973 2.85130 2.09243 2.09260 2.08138 2.11126 2.10675 2.08963 2.08968 2.07078 1.93208 1.93180 1.92373 1.86385 1.90600 1.90520 2.12803 2.13359 2.02157 2.00350 1.89811 1.89884 1.89650 1.89671 1.86541 3.14092 0.00271 0.00169 -2.12659 2.13079 2.11727 -1.02750 -2.10270 1.03571 0.00669 -3.13808 -0.00005 -0.00006 0.00002 0.00002 -0.00001 0.00004 0.00003 0.00004 0.00006 0.00000 -0.00005 0.00000 -0.00003 0.00001 0.00001 -0.00001 0.00002 -0.00005 0.00005 0.00000 -0.00002 0.00003 -0.00006 0.00001 0.00001 0.00003 -0.00002 -0.00010 0.00002 0.00000 -0.00003 -0.00005 0.00003 -0.00005 0.00003 -0.00004 0.00004 0.00000 0.00005 -0.00005 -0.00006 0.00002 -0.00005 -0.00011 -0.00008 0.00012 -0.00016 0.00021 0.00008 0.00006 0.00003 -0.00011 -0.00003 -0.00003 0.00002 -0.00007 0.00005 -0.00026 0.00049 -0.00031 -0.00008 0.00022 -0.00004 -0.00014 -0.00145 -0.00045 -0.00053 -0.00058 -0.00042 0.00081 -0.00046 0.00077 -0.00045 0.00078 -0.00003 -0.00008 0.00011 0.00012 -0.00003 0.00015 0.00020 0.00017 0.00001 0.00017 -0.00035 -0.00009 -0.00020 0.00002 0.00016 -0.00003 0.00015 -0.00022 0.00035 -0.00012 0.00012 -0.00036 0.00015 0.00008 -0.00028 0.00030 0.00090 -0.00137 0.00221 0.00229 0.00205 -0.00200 0.00014 -0.00199 0.00015 -0.00192 0.00022 -0.00003 -0.00003 0.00006 0.00007 -0.00002 0.00010 0.00009 0.00010 0.00013 0.00002 -0.00014 -0.00001 -0.00014 0.00004 0.00005 -0.00006 0.00012 -0.00020 0.00028 -0.00008 -0.00014 0.00013 -0.00016 0.00000 -0.00006 0.00026 0.00076 -0.00283 0.00176 0.00176 0.00147 -0.00242 0.00095 -0.00245 0.00092 -0.00237 0.00100 2.45795 2.78970 2.85136 2.09250 2.09259 2.08148 2.11136 2.10685 2.08976 2.08970 2.07064 1.93208 1.93166 1.92377 1.86390 1.90594 1.90531 2.12783 2.13387 2.02149 2.00336 1.89823 1.89868 1.89650 1.89665 1.86567 -3.14150 -0.00011 0.00345 -2.12482 2.13226 2.11485 -1.02656 -2.10516 1.03663 0.00432 -3.13708 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000100 0.000037 0.002232 0.000580 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -3.790869e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 1 1 2 2 2 2 3 4 4 4 3 4 3 5 6 7 8 9 10 11 1.3007 1.4763 1.5088 1.1073 1.1074 1.1014 1.1172 1.1148 1.1058 1.1058 -DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 3 3 3 3 5 5 6 1 1 2 1 1 1 9 9 10 1 2 2 2 2 2 2 3 3 3 4 4 4 4 4 4 4 5 6 7 6 7 7 2 8 8 9 10 11 10 11 11 118.6469 110.7003 110.6842 110.2214 106.7907 109.2056 109.1597 121.927 122.2454 115.8273 114.792 108.7536 108.7955 108.6615 108.6736 106.88 -DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 4 4 3 3 3 5 5 6 6 7 1 1 1 1 1 2 2 2 2 2 3 3 4 4 4 3 3 3 3 3 2 8 9 10 11 1 8 1 8 1 -180.0384 0.1554 0.0967 -121.8445 122.0852 121.3105 -58.8716 -120.4761 59.3418 0.3832 -DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 50.0388 AuxInfo=1/0/N:2,4,3,1/CRV:3.3,4.2/rA:11N2CC3CHHHHHHH/rB:;s1s2;s1;s2;s2;s2;s3;s4;s4;s4;/rC:;;;;;;;;;;; 0.000000 2.420677 0.000000 1.286874 1.496298 0.000000 1.459932 3.716351 2.296660 0.000000 3.123457 1.093011 2.119194 4.304161 0.000000 3.121497 1.093028 2.119172 4.304251 1.775915 0.000000 2.547282 1.092616 2.146783 3.994929 1.786753 1.786729 0.000000 2.099009 2.224129 1.104428 2.493122 2.549864 2.550693 3.117386 0.000000 2.127189 4.006549 2.560420 1.095658 4.343029 4.654170 4.456525 2.411232 0.000000 2.113601 4.103584 2.694807 1.094887 4.809929 4.436945 4.473106 2.671354 1.788916 0.000000 2.091205 4.502133 3.206665 1.094290 5.100254 5.165606 4.564522 3.555348 1.766159 1.769757 0.000000 36.8346625 4.1467167 3.9118564 -0.67891 -0.60540 -0.49576 -0.42767 -0.39475 -0.38753 -0.36747 -0.33501 -0.31783 -0.24643 -0.19278 -0.03828 0.10095 0.10801 0.12493 0.14233 0.16903 0.17573 0.18334 0.19854 0.20487 0.24308 0.25565 0.27030 0.28085 0.31359 0.35191 0.35761 0.41411 0.46109 0.51490 0.60337 0.60844 0.63245 0.76491 0.88095 0.89329 0.98969 1.05174 1.06535 1.07353 1.10167 1.20723 1.23346 1.37914 22.44299 22.56649 22.63785 31.49659 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V -13.98651 -9.93070 -9.90288 -9.88403 -0.84571 -0.67891 -0.60540 -0.49576 -0.42767 -0.39475 -0.38753 -0.36747 -0.33501 -0.31783 -0.24643 -0.19278 -0.03828 0.10095 0.10801 0.12493 0.14233 0.16903 0.17573 0.18334 0.19854 0.20487 0.24308 0.25565 0.27030 0.28085 0.31359 0.35191 0.35761 0.41411 0.46109 0.51490 0.60337 0.60844 0.63245 0.76491 0.88095 0.89329 0.98969 1.05174 1.06535 1.07353 1.10167 1.20723 1.23346 1.37914 22.44299 22.56649 22.63785 31.49659 0.59301 -0.00007 -0.00001 0.00000 -0.10891 0.02138 0.03418 0.05345 -0.01552 0.00142 0.01620 0.00058 -0.01354 0.00536 0.00065 0.05297 0.00044 -0.01397 -0.03895 0.03535 0.02125 0.00030 0.00080 0.00663 -0.00119 -0.00611 -0.00052 0.00364 0.00157 -0.02747 -0.03407 -0.03282 0.01278 0.02891 0.00773 0.04433 -0.01883 0.00851 0.02350 -0.00916 0.00795 0.01074 -0.02703 0.01991 0.00726 -0.00510 0.00073 -0.05855 -0.02344 0.13098 -0.01921 -0.00397 0.00715 -1.76122 0.44327 0.00003 0.00003 0.00002 -0.13958 0.02765 0.04432 0.06945 -0.02019 0.00180 0.02088 0.00076 -0.01792 0.00687 0.00085 0.06886 0.00059 -0.01773 -0.05068 0.04582 0.02639 0.00034 0.00109 0.00808 -0.00197 -0.00744 -0.00063 0.00453 0.00192 -0.03347 -0.04390 -0.04591 0.01805 0.03895 0.01226 0.05863 -0.02785 0.01313 0.03661 -0.01222 0.01308 0.01771 -0.04452 0.03254 0.01199 -0.00857 0.00293 -0.09779 -0.03674 0.21814 0.01258 0.00262 -0.00485 1.92861 0.01402 -0.00033 0.00009 -0.00015 0.40126 -0.08137 -0.13381 -0.20919 0.05971 -0.00479 -0.06082 -0.00250 0.05892 -0.01802 -0.00266 -0.20535 -0.00216 0.03270 0.14061 -0.11311 -0.03340 0.00638 -0.00266 -0.00574 0.01851 0.00528 0.00032 -0.00832 -0.00144 0.01643 0.10490 0.21329 -0.08732 -0.12369 -0.09795 -0.17338 0.16176 -0.08996 -0.25880 0.04326 -0.08384 -0.17810 0.40088 -0.28337 -0.10621 0.07993 -0.06549 0.92352 0.28942 -2.12524 0.01693 -0.00706 -0.00104 -0.50355 -0.01285 0.00103 0.00055 -0.00035 0.25924 -0.05747 -0.08473 -0.18221 0.11011 -0.01073 -0.09401 -0.00163 0.04065 -0.05631 -0.00249 -0.28356 0.00009 0.34060 0.66686 -0.93955 -0.75158 -0.10055 0.00774 -0.36553 -0.21596 0.30102 0.02524 0.07660 -0.08137 1.66921 1.10819 -0.15750 0.08515 -0.78746 0.34181 -0.45211 -0.06712 0.13664 -0.02778 -0.55213 -0.27609 0.88658 -1.20789 0.60650 0.18418 -0.16360 0.16379 -1.71548 -0.48176 5.09444 -0.04295 -0.02444 0.03997 0.72181 0.00003 0.00062 -0.00040 0.00009 -0.03127 -0.15458 0.19575 -0.06482 0.36980 -0.01140 -0.10501 -0.00229 -0.17457 -0.21155 -0.00143 0.09517 0.00245 0.11919 0.21314 0.05222 -0.16041 0.14072 0.05233 -0.01162 -0.01887 0.01004 -0.00170 -0.03891 0.00489 -0.06908 0.03139 0.24412 -0.09821 0.31783 -0.47357 -0.07066 -0.35420 0.34433 0.28701 -0.68433 -0.17351 -0.11096 0.07458 0.02362 0.02782 -0.00139 -0.14452 0.12593 -0.25733 0.00233 -0.02965 0.01931 0.00946 0.00241 0.00213 -0.00046 -0.00009 -0.00008 0.17599 -0.02269 -0.07479 0.04009 0.03474 0.02000 0.19752 0.00591 0.01964 0.06529 0.00502 0.57114 0.00567 0.03828 0.05412 -0.11687 -0.18291 -0.10592 -0.01103 -0.01536 -0.07502 0.00684 -0.00329 0.02963 0.00142 0.07109 -0.11785 0.18409 -0.13966 -0.05338 -0.47306 0.15804 0.56364 -0.60602 -0.03050 -0.12145 -0.12059 0.03528 0.13259 -0.02883 -0.03986 0.02261 0.01164 -0.00984 -0.01561 0.11689 0.02428 0.00099 -0.00703 -0.00536 0.00002 0.00001 0.00000 -0.00001 0.00023 -0.00003 -0.00014 0.00017 0.00073 0.25357 -0.03052 -0.04979 0.00272 -0.00268 0.47369 0.00028 -0.52160 0.00920 -0.00522 -0.00664 0.00078 -0.01682 0.11255 -0.06702 -0.05814 -0.22806 -0.00719 -0.01078 -0.06193 -0.00101 0.01157 -0.00814 -0.00399 -0.03244 -0.01069 -0.08923 -0.66134 -0.62292 -0.08199 -0.00361 0.00829 -0.00091 0.00967 0.07327 -0.06011 0.11741 -0.01682 -0.00038 0.01454 -0.00806 -0.00016 0.00018 0.00036 -0.00046 0.00012 -0.00191 0.00313 -0.00022 0.00993 0.01428 -0.03405 -0.02810 -0.01937 -0.00065 0.01330 0.00081 0.03181 -0.01466 -0.00396 -0.00246 -0.00869 0.50591 0.58144 0.40142 -0.51309 0.56807 0.04699 -0.32788 0.21984 0.03072 -0.02261 0.31332 0.02218 -0.91451 -0.40380 -0.02887 -0.03307 -0.18212 -0.66967 1.29972 -0.44735 0.40016 -1.18012 3.47924 -0.54537 0.63264 -0.02654 -0.18171 0.08950 -0.05100 0.35256 -1.31400 1.87514 -0.47791 0.07850 -0.15204 -0.02724 -0.02801 -0.00339 -0.00016 -0.00050 0.00012 -0.00026 -0.00202 0.00932 0.00974 0.01957 0.00100 0.02661 0.00205 0.00788 -0.00059 0.00288 0.27502 0.01333 0.03281 0.08877 -0.18847 -0.16338 -0.22715 0.02079 -0.06191 -0.32867 0.13564 -0.01422 -0.34451 -0.00709 0.38430 -0.11522 -0.01303 -0.10856 -0.78373 0.05325 -1.37773 -0.74291 1.05805 -0.09991 0.60705 0.32697 0.26701 -0.88659 0.10585 0.09654 -0.08839 0.13730 -0.71629 0.02675 0.79685 -0.00790 0.01366 -0.00360 0.13246 -0.00008 -0.00005 -0.00001 0.00005 -0.00056 0.00017 0.00002 0.00098 0.00107 0.05626 -0.00720 -0.01538 -0.00005 0.00074 0.19804 -0.00187 -0.45431 0.00208 -0.01895 -0.04964 0.00087 0.13034 -0.14517 -0.12184 -0.16699 -0.47225 -0.22050 -0.00937 0.24429 -0.00169 0.03316 -0.05815 -0.10347 -0.00105 -0.00104 0.11557 1.28549 1.23585 0.17435 0.02454 -0.02235 -0.00012 -0.03555 -0.19795 0.17131 -0.38703 0.04738 -0.00266 -0.06400 0.03397 0.00085 -0.00005 -0.00275 0.00322 0.00000 0.00081 -0.00007 0.60037 -0.01851 -0.09570 -0.06850 0.03771 -0.00680 -0.00122 -0.00834 -0.00004 0.00268 0.00914 0.00019 -0.01503 -0.00038 -0.06259 -0.00297 0.03568 -0.05250 -0.00301 -0.00296 -0.00884 0.00215 -0.00266 0.00089 -0.00224 -0.00001 0.00580 -0.00314 -0.02925 0.01370 0.03073 -0.02424 -0.02644 -0.00018 0.00635 -0.01264 -0.01249 0.04766 0.13791 0.06108 0.00179 0.00255 -0.00026 -0.00097 0.02611 0.01642 0.00784 -0.75716 -0.01430 -1.59054 0.00196 0.00002 0.00072 -0.00003 0.43395 -0.02318 -0.12043 -0.08660 0.04805 -0.00878 -0.00154 -0.01065 -0.00006 0.00351 0.01202 0.00026 -0.01987 -0.00048 -0.07949 -0.00513 0.04643 -0.06905 -0.00438 -0.00378 -0.01063 0.00253 -0.00359 0.00128 -0.00375 -0.00002 0.00829 -0.00460 -0.04151 0.01954 0.04451 -0.03309 -0.03814 -0.00043 0.00838 -0.00902 -0.01812 0.07628 0.22481 0.09340 0.00023 0.00187 0.00058 -0.00043 0.05447 0.03765 0.01743 0.82670 0.01563 1.75460 -0.00298 -0.00014 -0.00065 -0.00031 0.02025 0.06094 0.32744 0.23978 -0.13909 0.02582 0.00360 0.02844 0.00039 -0.01053 -0.03861 -0.00111 0.05868 0.00035 0.12534 0.04783 -0.09892 0.16149 0.03269 0.01031 0.01249 0.00533 0.00860 -0.00667 0.03691 0.00041 -0.04774 0.02734 0.19190 -0.09339 -0.24097 0.11760 0.21231 0.00316 -0.02349 -0.19245 0.17366 -0.69413 -2.11016 -0.67836 0.07629 0.05210 -0.03712 -0.01954 -0.91682 -0.71457 -0.37523 -0.20771 0.00577 -0.50799 0.00515 0.00004 0.00359 0.00187 -0.02450 0.06147 0.27148 0.22846 -0.10832 0.05384 0.01535 0.06387 -0.00244 -0.05092 -0.05001 0.00265 0.22163 0.02206 2.58820 -0.19011 -1.13725 2.14416 -0.25123 0.03366 0.28480 -0.20191 0.07310 0.01877 -0.24779 -0.00023 0.19764 -0.10071 0.36305 -0.08172 0.90869 1.25534 -0.65178 0.46452 -0.48909 0.77596 -2.31357 1.67808 5.78566 1.59257 -0.43885 -0.38968 0.25921 -0.27864 3.60591 2.60537 2.00861 0.28322 -0.04912 0.97627 0.02706 -0.00013 -0.00032 0.00011 -0.00014 0.03983 0.04986 -0.04713 0.14250 -0.16972 -0.02819 -0.25519 -0.00450 -0.13474 -0.33051 -0.00295 0.14933 0.00237 -0.06354 -0.11406 -0.04020 -0.32007 0.12883 0.04649 -0.07741 -0.00592 0.02030 0.00301 -0.11855 0.00973 -0.19720 -0.02958 0.65442 -0.25738 -0.21438 0.75122 0.08714 0.05887 -0.07800 0.02119 -0.32289 -0.02267 0.20182 0.11949 0.08523 0.02080 -0.01591 0.02688 -0.04736 0.01114 0.08564 0.01673 -0.00618 0.00320 0.00844 -0.00011 -0.00006 0.00002 0.00012 0.00713 0.02659 0.01630 0.12805 0.15288 -0.01548 -0.11291 0.00263 0.47730 -0.09075 -0.00249 0.01799 0.00000 -0.00654 0.05774 -0.04666 -0.02088 -0.22671 -0.13877 0.11091 0.27869 -0.20562 0.01469 0.66123 -0.01721 0.27178 -0.47121 0.21586 -0.13893 -0.00740 0.12511 -0.02186 -0.13662 0.14277 0.01255 0.07006 -0.00706 0.07230 0.00335 -0.25764 -0.09553 0.09375 -0.37387 0.05126 -0.16773 0.07358 0.00393 -0.00094 0.00039 0.00475 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00011 0.00001 -0.00022 -0.00012 0.23761 -0.03607 0.44029 -0.00324 0.00446 -0.16818 0.00111 -0.03794 -0.00273 -0.00172 -0.01125 -0.00010 0.15869 -0.44116 0.04144 -0.20778 -0.12179 -0.13346 -0.02785 -0.80590 0.00101 -0.04306 0.12483 0.26630 -0.00985 -0.01139 0.00654 -0.01642 -0.01761 -0.00477 0.00068 0.00265 -0.00016 0.00697 -0.05268 -0.20057 -0.48745 -0.03380 -0.00160 -0.00206 0.00012 -0.00002 0.00014 -0.00006 0.00002 -0.00034 0.00315 0.00069 -0.00243 -0.00313 -0.00280 0.00215 0.02847 -0.02661 -0.00335 -0.05787 -0.00242 -0.04433 -0.10094 0.00053 0.05934 0.00773 0.81884 -0.81650 -0.46787 -0.53627 0.66307 0.54075 1.57594 -0.23769 -0.16149 -0.00370 0.18372 -0.02189 0.77511 0.12136 -0.52007 0.22677 0.67980 0.18140 -0.45966 0.24108 -0.08905 -0.90796 -0.47591 0.11701 0.16891 -0.38119 -0.35536 -0.22806 0.14852 -0.26529 1.28005 0.92694 0.99127 -0.08044 -0.01254 0.14935 0.02778 0.00135 0.00044 0.00144 -0.00098 -0.01363 0.00723 0.00051 0.01694 0.02856 -0.00494 -0.02922 0.00118 0.16766 -0.02007 -0.00123 -0.05440 -0.00358 0.23738 0.11075 -0.70548 -0.33402 -1.35907 -0.54298 0.57375 0.37780 -0.40603 -0.05039 -0.91290 0.12143 -2.65248 -0.72373 -0.22050 0.15313 0.19833 -0.29985 -0.44387 -0.18443 0.31837 -0.44355 0.16218 -0.18839 0.05949 -0.00048 0.37118 0.13671 -0.17658 1.02416 0.07566 1.35210 -0.67407 -0.00715 -0.05952 0.04420 -0.09242 0.00001 0.00000 0.00011 -0.00002 -0.00059 0.00015 0.00014 -0.00130 -0.00025 0.03705 -0.01046 0.11462 -0.00110 0.00309 -0.06196 0.00194 -0.15487 -0.00614 -0.00830 -0.04087 -0.00354 0.65891 -1.83518 0.23280 -0.62823 -0.08615 0.79111 0.02676 1.41315 0.04530 0.07710 -0.37056 -0.84846 0.04606 0.07396 -0.08414 -0.20984 -0.20173 -0.00169 -0.04391 -0.03067 0.00748 -0.02580 0.10955 0.61571 1.26447 0.05088 0.00915 0.03492 -0.00168 -0.00021 -0.00415 0.00119 -0.00026 0.00001 0.60031 0.00002 -0.00082 -0.07563 -0.06215 0.02778 -0.07341 0.01619 0.00284 0.01914 -0.00002 0.00619 -0.00696 -0.00058 -0.02167 -0.00039 0.01388 -0.04297 -0.05335 -0.02749 0.00115 0.00255 0.00425 0.00013 0.00715 0.00074 0.00173 -0.00120 0.01070 -0.01170 0.03538 -0.01721 -0.02107 0.01812 -0.03558 0.02870 -0.04059 0.10114 0.08309 -0.03171 -0.01431 0.06147 0.00096 0.00333 -0.00242 0.01797 -0.01118 -0.00697 -0.00557 -1.58359 0.16677 0.75235 0.02017 0.00017 0.43420 0.00003 -0.00044 -0.09448 -0.07859 0.03527 -0.09385 0.02084 0.00367 0.02472 -0.00003 0.00814 -0.00891 -0.00074 -0.02886 -0.00055 0.01733 -0.05609 -0.06750 -0.03947 0.00204 0.00327 0.00531 0.00062 0.00995 0.00112 0.00121 -0.00173 0.01602 -0.01571 0.04639 -0.02247 -0.02406 0.02334 -0.05529 0.03929 -0.05884 0.16602 0.13143 -0.05223 -0.01972 0.09725 0.00196 0.00623 -0.00415 0.02695 -0.02891 -0.01218 -0.00917 1.73274 -0.18376 -0.83170 -0.02988 -0.00046 0.01834 -0.00038 -0.00094 0.26214 0.22436 -0.10315 0.27581 -0.06512 -0.01120 -0.07379 0.00027 -0.02465 0.02566 0.00206 0.10806 0.00275 -0.00973 0.14451 0.08281 0.20182 -0.03485 -0.00771 -0.00974 -0.02733 -0.03221 -0.00711 0.01759 0.00758 -0.07300 0.04531 -0.13463 0.05621 -0.07039 -0.06293 0.36447 -0.14035 0.32066 -1.48127 -1.08577 0.52280 0.19886 -0.85959 -0.02241 -0.08925 0.04770 -0.19750 0.56148 0.16342 0.23724 -0.40019 0.06137 0.23154 0.02500 0.00498 -0.01504 0.00258 0.00687 0.12034 0.13598 -0.12126 0.21622 -0.09630 -0.00666 -0.03825 -0.00033 -0.00012 0.10464 0.00135 -0.00929 -0.01714 -0.78444 1.46640 2.36267 -0.08272 0.60447 -0.13808 -0.64100 0.60608 -0.23438 0.01611 0.45919 0.02072 -0.62243 0.40995 -0.27918 0.30030 1.42006 -0.25731 1.90481 0.05332 -0.73483 2.10813 3.53769 -2.18395 -2.06018 2.81291 0.17403 0.49725 -0.21142 0.31629 -1.68045 -0.51458 -3.07503 0.42095 -0.16521 -0.51905 -0.28743 -0.00017 0.00055 0.00016 0.00029 0.12940 -0.13144 -0.18209 -0.03948 0.01767 0.03275 0.28903 0.00464 0.02285 0.36721 0.00410 0.04883 0.00289 0.09050 -0.06742 -0.03100 -0.02250 0.10640 0.09381 0.33014 -0.04027 -0.07694 -0.01751 0.06721 0.01258 -0.19275 -0.00002 0.19062 -0.09627 -0.27837 0.25829 0.87186 -0.47964 0.34414 0.44416 -0.12992 -0.00906 0.15585 0.02653 0.02263 0.02607 -0.00233 -0.12598 0.15207 -0.04502 -0.27226 -0.00893 -0.00588 -0.00698 -0.00601 0.00014 -0.00036 -0.00006 0.00005 -0.09252 -0.02512 0.09001 0.27627 0.34623 0.00009 0.02741 0.00188 -0.18414 0.10354 0.00416 -0.15172 -0.00377 0.04186 0.33140 0.16409 0.05486 0.07692 0.02171 0.40939 0.16801 -0.12941 -0.00498 -0.04805 -0.00295 -0.00882 0.09074 0.00901 -0.00893 -0.71452 0.17577 -0.36444 0.38223 -0.33716 0.15179 -0.24754 0.14304 0.20647 -0.31966 -0.07484 -0.06924 0.02721 0.05317 -0.21211 0.04495 0.03701 -0.00082 0.00181 -0.00169 -0.00020 0.00000 0.00000 0.00002 -0.00001 -0.00005 -0.00005 0.00023 -0.00040 -0.00061 0.21158 -0.02722 0.12232 0.00155 -0.00396 0.42882 -0.00445 0.57450 -0.01076 -0.00296 -0.01568 -0.00066 0.04291 -0.05703 -0.00389 0.09833 0.04420 -0.43572 0.00373 -0.10395 -0.03325 0.08557 -0.33538 -0.74121 0.05548 0.04590 -0.01512 0.01802 0.01290 0.00819 -0.01539 -0.00505 -0.00006 0.00051 -0.01113 0.04673 0.04034 -0.00505 0.00256 0.01167 -0.00031 0.00005 -0.00065 0.00037 -0.00021 0.00304 0.00134 0.00446 -0.00615 -0.01539 0.01748 0.01343 0.01946 -0.00564 0.01361 0.03875 -0.00397 -0.01415 0.03550 0.00412 0.03921 0.01563 1.65540 -0.29484 0.18402 0.26866 0.20566 0.16054 0.99645 0.17502 -0.36831 0.02565 -0.30362 0.06431 -1.04786 -1.15177 0.20445 0.06677 2.71316 1.54220 -1.37717 0.93905 -0.82544 -0.78725 -1.18412 -0.72531 0.72564 0.98133 -0.71403 -0.34990 0.25907 -0.24487 1.92454 2.76612 0.19309 0.03646 -0.16685 0.27218 -0.15268 -0.00220 0.00148 -0.00137 -0.00266 0.03809 -0.00173 0.03428 0.07585 0.11167 0.00568 -0.00067 -0.00243 -0.11673 -0.00440 0.00662 0.15475 0.01223 0.21541 -0.31244 -0.18186 0.25321 -0.00874 0.22304 0.74698 -0.25019 -0.09852 0.07352 0.51824 -0.10851 3.11357 2.49598 0.07692 0.29060 2.03844 2.04991 0.10857 0.96913 -1.21878 0.70653 -2.89243 -0.16649 -0.24514 1.12737 0.43535 0.03676 -0.00500 -0.28184 2.27172 -1.10154 2.45953 0.00193 0.07600 0.12740 0.17769 0.00001 0.00001 -0.00013 0.00003 0.00082 -0.00030 -0.00017 0.00106 -0.00009 0.07034 -0.00401 0.02301 0.00079 -0.00380 0.16714 -0.00357 0.58502 -0.00938 0.01307 0.02595 0.00502 -0.30916 0.78071 -0.04771 0.24153 0.18410 0.22558 -0.00314 -0.26873 0.01996 -0.15832 0.65321 1.47066 -0.11657 -0.11695 0.02699 -0.41239 -0.37915 -0.08229 0.04901 0.04337 -0.00905 0.02004 0.05666 -0.21162 0.00354 0.04724 -0.01168 -0.03376 -0.01110 -0.00019 0.00525 -0.00120 -0.00054 0.00001 -0.00002 0.60037 0.00007 -0.04862 0.06369 -0.09279 -0.01783 0.01823 0.00008 0.00219 0.00018 0.00092 0.00832 0.00018 -0.01971 0.00045 0.06790 0.00379 0.03007 -0.04880 -0.01355 -0.01239 -0.01521 0.01147 -0.00240 0.00034 -0.00424 -0.00006 0.00354 0.01855 0.03610 -0.01627 -0.00417 -0.03226 -0.00566 0.00047 0.00088 0.01307 -0.00598 0.14125 -0.06275 0.03450 -0.00119 0.00195 0.00023 -0.00168 0.00283 -0.01339 0.01061 -0.14411 -1.75356 0.08457 0.00525 0.00005 0.00000 0.43401 0.00007 -0.06099 0.08035 -0.11727 -0.02240 0.02351 0.00009 0.00294 0.00026 0.00107 0.01080 0.00023 -0.02577 0.00052 0.08781 0.00514 0.03918 -0.06463 -0.01806 -0.01653 -0.02003 0.01544 -0.00317 0.00043 -0.00587 -0.00006 0.00445 0.02488 0.05081 -0.02309 -0.00510 -0.04323 -0.00533 0.00188 -0.00086 0.02191 -0.00548 0.23316 -0.09817 0.04502 0.00301 0.00328 -0.00063 0.00091 0.00793 -0.03438 0.01605 0.15736 1.92899 -0.09340 -0.00799 -0.00010 -0.00036 0.01972 -0.00029 0.16401 -0.22279 0.32759 0.06090 -0.06761 -0.00012 -0.01117 -0.00111 -0.00230 -0.03443 -0.00048 0.09053 0.00043 -0.18407 -0.02035 -0.08577 0.16952 0.04837 0.04534 0.04023 -0.05026 0.01269 -0.00110 0.02880 -0.00154 0.00498 -0.06442 -0.24300 0.11352 -0.03466 0.12452 -0.04510 -0.06796 0.09234 -0.22681 -0.01525 -2.25313 0.83879 -0.16912 -0.14387 -0.02436 0.02548 -0.09724 -0.27330 0.72476 0.06018 -0.02241 -0.52593 0.02915 0.00981 0.00343 0.00206 -0.02103 0.00100 0.11391 -0.20973 0.32738 0.06948 -0.01494 0.00026 -0.02036 -0.00138 -0.05703 -0.06388 -0.00063 0.11768 -0.01660 -2.14572 0.20158 -1.25773 1.44565 0.41404 0.45962 0.82639 -0.36744 -0.00633 0.01235 -0.07638 0.00883 0.10045 -0.46400 -0.11353 0.11443 1.26259 1.12363 0.20371 0.86817 -1.17394 1.48128 -2.29104 5.71317 -2.73586 1.01201 0.22363 -0.10218 0.08026 -0.26210 2.17333 -2.75005 -1.53815 -0.02937 0.87340 -0.03959 -0.19978 -0.00027 -0.00018 -0.00032 -0.00010 -0.09806 0.03876 0.07133 0.11039 -0.30408 -0.01256 -0.11119 -0.00373 0.10002 0.32092 0.00163 -0.13087 0.00443 -0.04665 0.27873 -0.12749 0.03828 0.09056 0.13838 0.21309 -0.26355 0.04528 -0.02877 0.23573 0.00502 -0.15460 0.33424 0.65090 -0.28350 0.14961 -0.43297 -0.27658 -0.05046 0.10975 -0.13242 0.30803 -0.06076 0.21884 -0.23335 0.02245 -0.10487 0.01311 0.27437 -0.13445 -0.09060 0.31417 0.00759 -0.00319 0.00118 0.02435 -0.00007 0.00006 0.00007 -0.00004 -0.02346 0.02140 0.00630 0.13313 -0.15931 0.04423 0.38774 0.00920 0.08014 -0.23528 -0.00421 -0.16398 -0.01804 -0.04825 0.12521 -0.11791 0.05159 0.16902 -0.07265 0.11630 0.51297 -0.14433 0.04048 -0.58205 -0.00486 0.34511 -0.09261 0.32975 -0.13884 0.13516 -0.24608 0.07807 -0.08625 0.05583 -0.09562 0.21157 -0.04252 0.10949 -0.16240 0.20682 0.30461 -0.12874 -0.24298 -0.05714 0.11132 0.04412 -0.00233 -0.00673 0.00326 0.00503 0.00000 -0.00001 -0.00003 -0.00001 -0.00035 0.00078 -0.00116 0.00271 0.00202 0.40108 -0.04131 -0.29606 0.00391 0.00087 -0.20560 0.00710 -0.05124 -0.00660 0.01096 0.03292 -0.00409 0.00221 -0.19773 0.12250 0.06197 0.40421 -0.76686 0.00375 0.28882 0.06087 -0.07517 0.16258 0.32570 0.00685 0.00334 0.01968 -0.10157 -0.09657 -0.02606 -0.02362 0.00199 0.01074 -0.00947 -0.32659 0.31782 -0.05780 0.16213 0.01323 -0.04694 0.01359 0.00045 0.00028 0.00004 -0.00005 -0.00070 -0.00111 0.00187 -0.00165 0.00722 0.00895 0.01074 0.00672 -0.07970 0.00154 -0.04789 -0.00483 0.04277 0.07901 0.00393 0.00356 0.02161 0.83117 1.17327 -0.21007 -0.57025 0.22409 0.33025 0.24344 -0.62542 0.06390 0.00210 -0.51307 0.03593 0.14363 -1.35739 -0.59076 0.11699 1.24922 1.12632 -0.26291 0.21036 -0.23765 0.08738 0.20102 -0.13575 0.05641 0.40016 -0.18188 0.26985 -0.03646 -0.62143 -0.25215 1.70326 0.38017 0.06150 -0.07132 0.04807 0.03209 -0.00042 -0.00045 -0.00058 0.00063 0.01827 0.00065 -0.01639 0.02747 -0.04830 0.00774 0.13918 0.00681 0.03407 -0.04064 -0.00878 -0.02927 -0.05331 -0.11451 0.35645 -0.62620 -0.39264 1.09729 -0.12343 -0.82811 1.23000 0.16288 0.03471 1.09182 -0.05335 -1.29033 0.58824 -0.43423 0.51855 -0.65986 -0.68407 0.98955 -0.13702 -0.05495 -0.42207 1.02680 0.10936 -0.00803 0.23040 -0.32157 -0.68442 0.25576 0.98228 -0.52044 -0.20879 0.11616 0.01486 0.01741 -0.03680 0.02945 0.00021 0.00016 0.00032 -0.00019 0.00035 0.00028 -0.00046 -0.00453 -0.00329 0.10438 -0.01791 -0.07594 0.00426 -0.00169 -0.04790 0.01049 -0.13215 0.02933 0.06112 0.18587 -0.01528 -0.22360 -0.24435 0.58370 0.41880 1.89896 1.05879 0.05586 -0.72393 -0.00672 -0.03682 -0.25895 -0.75416 0.26606 0.15754 -0.01380 -0.63090 -0.70521 -0.07688 -0.08399 -0.03491 0.00697 0.08045 0.88427 -0.88750 0.46367 -0.52160 -0.00614 0.32256 -0.10148 -0.00299 -0.01131 0.01088 -0.00964 0.00004 -0.00032 -0.00009 -0.00040 0.01027 0.09050 0.08464 -0.05716 0.07281 0.10182 0.03800 0.19135 0.12766 0.05704 -0.10289 -0.01179 -0.08390 -0.00938 -0.03793 0.01885 -0.02707 0.03728 0.13971 0.02074 0.01258 0.00344 -0.03733 0.01387 -0.07037 0.01510 -0.03614 -0.01204 -0.00929 -0.02177 0.02413 -0.00281 0.05850 0.11504 -0.20150 -0.15016 0.02828 0.15886 0.41844 0.55755 0.59276 0.82126 0.43309 -0.57761 -0.25155 -0.31620 0.02195 0.00248 0.01011 -0.00323 -0.00009 0.00120 0.00016 0.00383 -0.00996 0.00802 0.02494 -0.02234 0.04215 0.07185 0.02336 0.13110 0.08901 0.04717 -0.10838 -0.03752 -0.10047 -0.42720 -0.47455 0.53908 -0.98078 0.37080 1.97901 0.18795 0.34791 0.19492 -0.46581 -0.00557 -0.22372 0.48083 0.11361 -0.06115 0.09113 0.36286 0.18168 -0.21072 0.41225 -0.02017 -0.60850 0.16324 -0.40108 -1.30576 -0.74436 -0.85246 -0.99249 -1.51674 -0.83790 0.29018 -0.07117 0.37399 -0.11762 -0.00160 -0.12437 0.00914 0.00004 -0.00033 -0.00009 -0.00039 0.01028 0.09052 0.08459 -0.05731 0.07242 -0.09102 0.06820 -0.18864 0.12879 0.05300 0.10302 -0.01348 0.08392 -0.01364 -0.03814 0.01104 -0.02708 0.11195 -0.06648 0.04943 -0.04730 0.00927 0.03534 0.01677 0.06884 0.02109 -0.03795 -0.00741 0.00119 -0.02583 0.02383 -0.01408 -0.08789 -0.02656 -0.22364 -0.15883 0.03444 0.16033 0.44522 0.30771 -0.16464 -1.13137 0.29879 -0.58188 -0.25926 -0.31290 0.02201 0.00254 0.00995 -0.00310 -0.00007 0.00122 0.00025 0.00380 -0.01039 0.00815 0.02509 -0.02363 0.04171 -0.06319 0.04096 -0.13061 0.08991 0.04516 0.10961 -0.03812 0.10220 -0.44610 -0.48284 0.46391 -0.98515 1.45111 -1.08298 0.57601 -0.79395 -0.06534 0.48623 -0.01820 0.19240 0.54391 0.07678 -0.08600 -0.00988 0.36755 0.21731 -0.29431 0.08530 -0.32715 -0.62984 0.13293 -0.42900 -1.30114 -0.79240 -0.44008 0.42730 1.98077 -0.62098 0.30466 -0.02695 0.36360 -0.11810 -0.00507 -0.12273 0.00823 -0.00006 -0.00017 -0.00018 -0.00029 0.01343 0.08291 0.06956 -0.10417 -0.05221 0.01041 0.07399 -0.00025 -0.26265 0.04572 0.00083 -0.00823 -0.00100 -0.03202 0.04537 -0.04478 -0.06675 -0.10825 -0.03694 0.08943 0.03459 -0.04687 -0.00268 -0.00778 0.00289 -0.05023 0.07299 -0.00859 0.01704 0.01219 0.05489 -0.03922 0.01097 0.02456 -0.23274 0.18016 0.00659 0.23188 0.35514 -0.51865 -0.14179 0.19216 -0.90630 -0.34322 -0.89218 -0.04671 0.01521 0.00784 0.01066 0.00571 0.00073 0.00044 0.00115 0.00343 -0.01166 0.01283 0.01073 -0.04248 -0.03065 0.00484 0.03561 -0.00018 -0.15744 0.04354 0.00085 -0.10124 -0.00678 -0.50006 0.13616 -0.27448 -1.13457 -1.30208 -0.53862 0.78407 0.62576 -0.64071 -0.01255 0.11847 0.06023 -1.27940 -0.60378 -0.12511 0.11595 0.70032 0.03991 -0.34294 -0.15240 0.25865 -0.64804 0.08916 -0.63802 -1.43866 -0.41438 0.91775 0.33264 -0.37616 1.65567 -0.03459 1.42213 -0.43507 -0.08366 -0.04913 -0.12403 -0.05607 -0.00023 -0.00052 -0.00029 -0.00040 0.04470 0.05080 -0.00863 0.21201 0.12236 -0.00112 0.00703 0.00042 -0.11872 0.10223 0.00185 -0.12304 -0.00197 -0.00141 -0.04159 -0.09822 0.05357 0.02993 0.02675 -0.04374 -0.06337 0.06108 -0.00036 -0.04076 -0.00296 0.02809 -0.15597 0.00907 -0.04437 -0.17687 0.01825 -0.03310 -0.03280 0.07008 -0.24720 0.15413 -0.25043 -0.25499 0.69426 0.30904 0.13389 -0.09322 0.15128 0.95400 -0.41048 0.66473 0.03410 0.01146 0.00454 0.01951 0.00026 0.00183 0.00063 0.00175 -0.01742 0.01157 -0.01188 0.08223 0.04305 -0.00178 0.01002 0.00066 -0.05257 0.10178 -0.00262 -0.32331 -0.00058 -0.11893 -0.48648 -0.81507 -0.29028 -0.18069 -0.06935 -1.09634 -0.42227 0.47924 -0.03957 -0.45921 0.04692 -1.28693 -2.13102 0.21439 -0.46736 -1.41832 -1.46193 -0.22286 -0.77876 1.01379 -0.66739 1.17012 0.78037 0.70952 -2.08149 -0.61228 -0.19796 0.14166 -0.40744 -2.50010 1.05272 -1.62322 -0.10944 -0.02818 -0.03229 -0.05100 -0.00009 -0.00017 -0.00045 -0.00016 0.03114 -0.05531 0.10592 0.07019 -0.08961 0.15557 0.11100 -0.10724 0.03141 -0.09383 -0.11191 -0.07371 0.06313 0.01441 0.00205 0.05349 0.01201 -0.04825 0.00468 -0.00191 -0.09074 -0.10534 -0.04023 -0.02664 0.03877 0.04311 0.04024 0.00328 -0.02246 -0.10979 -0.05144 0.03686 -0.03479 0.15196 -0.06661 -0.10686 0.05531 -0.23264 0.56372 0.10569 -1.10176 0.41721 -0.01120 -0.30540 0.56550 0.20271 0.01196 0.02177 0.00213 0.00789 -0.00059 -0.00005 0.00418 0.00051 -0.01231 -0.00424 0.02018 0.03333 -0.04639 0.09816 0.05938 -0.07571 0.02303 -0.06858 -0.11119 -0.16309 0.25243 0.67132 -0.38917 0.78798 -0.39676 -0.83364 0.15094 -0.47840 -1.19913 -1.39252 -0.10527 -0.15880 0.22331 0.44445 0.17888 0.12141 -0.18491 -0.69085 -0.27830 -0.39857 0.12240 0.58584 0.06618 0.06767 -1.39603 0.69007 -0.90478 -0.41523 1.98361 -0.81620 -0.16181 -0.11402 -0.30349 0.08779 -0.02306 -0.18012 -0.01222 0.03272 -0.00013 -0.00021 -0.00051 -0.00015 0.03013 -0.05638 0.10908 0.05665 -0.08894 -0.16675 0.08347 0.13853 0.02496 -0.03592 0.13737 -0.04372 -0.07442 0.01048 -0.00642 0.05371 0.01013 -0.06659 -0.00854 0.04424 -0.00832 0.12164 0.04167 -0.00727 -0.04578 0.03124 0.02759 0.01863 -0.01685 -0.10724 -0.03650 0.04846 -0.10912 0.06314 -0.09173 -0.16223 0.06693 -0.19643 0.46122 -1.11250 0.49015 -0.06796 0.43125 -0.22811 0.39077 0.25387 0.01353 0.02382 0.00081 0.00927 -0.00027 0.00024 0.00449 0.00033 -0.00993 -0.00440 0.01815 0.01969 -0.05324 -0.10352 0.03963 0.09441 0.02431 -0.02207 0.14476 -0.10820 -0.24808 0.65082 -0.36181 0.93571 -0.43271 -0.88432 -0.53392 0.33206 -0.00487 1.78337 0.02428 -0.00545 -0.23425 0.40759 0.17482 0.12408 -0.32537 -0.42563 -0.24610 -0.19386 -0.47658 -0.08058 -0.08743 0.08861 -1.44162 0.67876 -0.66568 1.74430 -0.85918 0.25621 -1.00500 -0.22152 0.16195 -0.07788 -0.03002 -0.19165 0.00048 0.01990 -0.00009 -0.00004 -0.00036 -0.00017 0.02595 -0.05668 0.11236 0.01916 -0.07318 0.01457 -0.17128 -0.03121 0.00655 0.21145 -0.02442 0.08313 0.01407 0.01940 -0.06851 -0.02246 0.00095 0.03648 -0.03019 -0.03590 0.11959 -0.03484 -0.00215 0.04579 0.00331 -0.03014 0.10420 0.01231 0.03604 -0.10842 -0.05171 -0.11166 0.01001 -0.00841 0.00986 -0.05481 0.09277 -0.21848 0.30427 0.40212 0.60774 -0.21923 -0.95534 -0.15696 0.78857 0.10805 0.00616 0.01954 0.00571 0.00459 -0.00077 -0.00004 0.00301 0.00113 -0.00366 -0.00429 0.01084 0.01784 -0.03993 0.00235 -0.07055 -0.01540 0.00734 0.18435 -0.03319 0.06149 0.01095 0.29367 -0.70240 0.06343 -0.43412 0.39199 -0.51534 -1.03633 1.71687 -0.43136 0.06746 0.23278 -0.02336 -0.29477 1.05845 0.04120 0.28473 -1.38578 -1.17085 0.51741 -0.42592 0.54380 -0.49535 0.57428 -1.29751 0.68593 -0.50225 -0.69561 -0.98236 0.32366 1.82348 -0.45171 -1.19347 0.26837 -0.02585 -0.13847 -0.04014 0.05089 1 N 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 2 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 3 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 5 H 1S 2S 6 H 1S 2S 7 H 1S 2S 8 H 1S 2S 9 H 1S 2S 10 H 1S 2S 11 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 1 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 H 1S|2S|6 H 1S|2S|7 H 1S|2S|8 H 1S|2S|9 H 1S|2S|10 H 1S|2S|11 H 1S|2S 1.15987 0.83030 0.89700 0.73700 0.92286 1.14716 0.82062 -0.05754 0.29855 0.27127 1.17418 0.81431 0.73158 0.68046 0.88504 0.94297 0.92197 0.13331 0.22752 0.18845 1.17452 0.81424 0.78123 0.44322 0.90965 0.91969 0.72559 -0.02542 0.17813 0.22036 1.17423 0.81433 0.74001 0.69697 0.84493 0.92264 0.94706 0.12196 0.22561 0.20928 0.51110 0.26828 0.51101 0.26840 0.50951 0.24024 0.51728 0.29632 0.51552 0.27013 0.51397 0.25892 0.51793 0.23627 -0.1917 2.0306 -0.0308 2.0399 -22.3546 -26.7639 -25.7065 0.6699 -0.0513 -0.0554 2.5870 -1.8222 -0.7648 0.6699 -0.0513 -0.0554 3.2801 -1.1899 -0.4621 -0.9300 -1.9674 -0.0297 -0.2013 0.1558 0.2836 -0.1924 -376.0951 -62.2481 -38.3971 -8.2443 0.1745 -1.0816 0.1712 -0.9649 -0.1945 -71.6366 -65.6524 -16.9762 -0.7172 0.5482 -1.0744 0 0 0 0 0 0 0 0 0 0 0 50.0388 AuxInfo=1/0/N:2,4,3,1/CRV:3.3,4.2/rA:11N2CC3CHHHHHHH/rB:;s1s2;s1;s2;s2;s2;s3;s4;s4;s4;/rC:;;;;;;;;;;; 0.000000 2.458497 0.000000 1.300709 1.508842 0.000000 1.476262 3.809498 2.390044 0.000000 3.190339 1.107268 2.164199 4.439667 0.000000 3.185743 1.107357 2.164064 4.436176 1.777832 0.000000 2.578382 1.101418 2.153734 4.051286 1.800427 1.799987 0.000000 2.119138 2.234641 1.117231 2.628038 2.589370 2.592002 3.131275 0.000000 2.191457 4.079398 2.570578 1.114845 4.587084 4.587017 4.582278 2.306110 0.000000 2.109918 4.433306 3.112769 1.105783 5.225062 4.908537 4.556578 3.401640 1.804039 0.000000 2.110476 4.435287 3.114625 1.105813 4.917267 5.223801 4.555313 3.405587 1.804200 1.776428 0.000000 37.5701047 3.9370134 3.7310589 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 54 54 54 54 54 MxSgAt= 11 MxSgA2= 11. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 11 11 11 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 11 11 11 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 11 11 11 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 11 11 11 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 11 11 11 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 11 11 11 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 11 11 11 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3675 LenC2= 738 LenP2D= 2953. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 54 RedAO= T EigKep= 6.55D-03 NBF= 54 NBsUse= 54 1.00D-06 EigRej= -1.00D+00 NBFU= 54 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 54 54 54 54 54 MxSgAt= 11 MxSgA2= 11. 1 Closed 1 0 1 -172.889341247298 -172.920477744298 -0.031136497000 -172.974186927879 -0.053709183581 -172.826737284339 0.147449643539 -172.974911791251 -0.148174506912 -172.993002606624 -0.018090815373 -172.993036919995 -0.000034313371 -172.993037474796 -0.000000554800 -172.993045295411 -0.000007820615 -172.993045297978 -0.000000002567 -172.993045301860 -0.000000003882 -172.993045304610 -0.000000002750 -172.993045305252 -0.000000000642 -172.993045305254 -0.000000000001 -172.993045305254 0.000000000000 -172.993045305 15 1.723552848558e+02 -6.382104563055e+02 1.748005262696e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=2004979. IVT= 27968 IEndB= 27968 NGot= 402653184 MDV= 401521862 LenX= 401521862 LenY= 401518505 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 1485 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -7.54306598e-02 7.98910617e-01 -1.21220046e-02 1 2 3 4 5 6 7 8 9 10 11 7 6 6 6 1 1 1 1 1 1 1 0.002835364 -0.007568746 -0.000910236 0.003383317 0.003678016 -0.000468438 -0.018557017 -0.005058296 0.000293504 0.017149102 -0.008032299 0.002368983 -0.008114929 0.002746884 0.005618988 -0.008283023 0.002644397 -0.005657164 0.000707129 -0.005039824 -0.000040446 -0.000669428 0.007492937 0.000865831 0.002544186 0.008204059 0.003846596 0.003393008 0.004144816 -0.006231130 0.005612291 -0.003211944 0.000313513 0.018557017 0.006323192 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -173.000046722331 -173.000053805667 -0.000007083337 -173.000053061296 0.000000744372 -173.000053929792 -0.000000868497 -173.000053950296 -0.000000020504 -173.000053950680 -0.000000000384 -173.000053950692 -0.000000000012 -173.000053950693 -0.000000000001 -173.000053951 8 1.720995699270e+02 -6.342252280962e+02 1.729646548349e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=2004979. IVT= 27968 IEndB= 27968 NGot= 402653184 MDV= 401521862 LenX= 401521862 LenY= 401518505 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 1485 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -13.990309 -9.936315 -9.910981 -9.889778 -0.833418 -0.675455 -0.606434 -0.492300 -0.425926 -0.388074 -0.385346 -0.362064 -0.335608 -0.321906 -0.247346 -0.190869 -0.034650 0.096193 0.103194 0.127940 0.139290 0.155231 0.166558 0.175092 0.189729 0.194885 0.245422 0.255962 0.270760 0.276182 0.312658 0.333676 0.382123 0.386867 0.438919 0.539959 0.581031 0.598013 0.637960 0.758306 0.881904 0.893309 0.981350 1.033409 1.046094 1.069132 1.083582 1.175912 1.198978 1.381607 22.430405 22.552598 22.625279 31.489265 22.048173 15.957505 15.957555 15.956143 1.932520 1.446325 1.510943 1.368381 1.272060 1.118082 0.996155 0.963684 1.157726 1.252315 1.379770 1.732448 1.683826 1.171358 1.132367 1.095806 1.212873 0.753415 1.103240 0.980592 1.105056 1.013872 1.416078 1.279681 1.268842 1.044337 1.169975 2.458640 1.330404 1.348600 2.997997 2.649457 2.123382 2.742936 2.107457 2.451196 3.066862 2.903755 2.791967 2.531372 2.511658 2.523912 2.516933 2.629914 2.608067 3.663003 57.409664 57.394770 57.383996 80.069337 1.720995699270D+02 PT150.400S 2017-07-19T05:45:09.000+02:00 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 N C C C H H H H H H H -0.027089 -0.699780 -0.141198 -0.697035 0.220617 0.220589 0.250243 0.186395 0.214353 0.227106 0.245800 0.00000 -0.67546 -0.60643 -0.49230 -0.42593 -0.38807 -0.38535 -0.36206 -0.33561 -0.32191 -0.24735 -0.19087 -0.03465 0.09619 0.10319 0.12794 0.13929 0.15523 0.16656 0.17509 0.18973 0.19489 0.24542 0.25596 0.27076 0.27618 0.31266 0.33368 0.38212 0.38687 0.43892 0.53996 0.58103 0.59801 0.63796 0.75831 0.88190 0.89331 0.98135 1.03341 1.04609 1.06913 1.08358 1.17591 1.19898 1.38161 22.43040 22.55260 22.62528 31.48926 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V -13.99031 -9.93632 -9.91098 -9.88978 -0.83342 -0.67546 -0.60643 -0.49230 -0.42593 -0.38807 -0.38535 -0.36206 -0.33561 -0.32191 -0.24735 -0.19087 -0.03465 0.09619 0.10319 0.12794 0.13929 0.15523 0.16656 0.17509 0.18973 0.19489 0.24542 0.25596 0.27076 0.27618 0.31266 0.33368 0.38212 0.38687 0.43892 0.53996 0.58103 0.59801 0.63796 0.75831 0.88190 0.89331 0.98135 1.03341 1.04609 1.06913 1.08358 1.17591 1.19898 1.38161 22.43040 22.55260 22.62528 31.48926 0.59303 -0.00006 0.00000 0.00000 -0.10999 0.02262 0.03278 0.05372 -0.01409 0.01388 -0.00003 0.00001 -0.01122 0.01073 0.00011 0.05053 0.00000 -0.02319 -0.04246 0.03099 0.01894 -0.00011 -0.00233 0.00182 0.00024 -0.01923 -0.00004 0.00293 -0.00006 -0.02109 -0.03934 -0.03509 0.01906 -0.00003 0.00414 0.05077 -0.00014 0.00245 -0.01322 -0.00561 -0.01195 0.01214 -0.02905 0.01554 -0.00002 -0.00004 0.00360 -0.04659 -0.04817 0.12979 -0.01851 -0.00222 0.00666 -1.76120 0.44327 0.00004 0.00003 0.00002 -0.14101 0.02924 0.04251 0.06977 -0.01825 0.01781 -0.00004 0.00001 -0.01492 0.01398 0.00014 0.06571 0.00000 -0.02978 -0.05509 0.04009 0.02349 -0.00012 -0.00328 0.00225 0.00028 -0.02404 -0.00005 0.00377 -0.00008 -0.02558 -0.05051 -0.04919 0.02610 -0.00005 0.00673 0.06945 -0.00019 0.00217 -0.02238 -0.00688 -0.01993 0.01927 -0.04789 0.02547 -0.00004 -0.00005 0.00750 -0.07819 -0.07830 0.21576 0.01208 0.00144 -0.00451 1.92833 0.01395 -0.00029 0.00003 -0.00014 0.40659 -0.08603 -0.12857 -0.21023 0.05288 -0.05061 0.00010 -0.00005 0.05058 -0.04177 -0.00040 -0.19642 -0.00008 0.06755 0.15034 -0.09530 -0.03052 -0.00021 0.01488 0.00181 -0.00013 0.03777 0.00019 -0.01055 0.00023 0.00932 0.11252 0.23217 -0.09362 0.00017 -0.06394 -0.26603 0.00064 0.02709 0.19828 0.01119 0.20983 -0.13184 0.42167 -0.22870 0.00054 0.00035 -0.10072 0.74181 0.68620 -2.09836 0.01461 -0.00572 -0.00121 -0.50121 -0.01276 0.00088 0.00076 -0.00037 0.26799 -0.06265 -0.08106 -0.18597 0.10869 -0.08418 0.00034 0.00014 0.02013 -0.07032 -0.00066 -0.26774 0.00057 0.49662 0.74321 -0.86039 -0.61477 0.00768 -0.16003 -0.22340 -0.00941 0.65212 0.00034 0.07819 0.00172 1.32703 1.42530 -0.30673 -0.47041 0.00116 0.41931 -0.40059 0.00684 -0.29961 -0.02957 -0.52910 -1.03811 -0.03920 -1.02316 0.65288 -0.00473 0.00171 0.18236 -1.29247 -1.25568 5.00780 -0.04190 -0.03153 0.03759 0.71130 -0.00001 0.00059 -0.00039 0.00012 -0.03651 -0.15876 0.19630 -0.07244 0.36638 -0.11103 0.00926 -0.00226 -0.22757 -0.13611 0.01603 0.09220 -0.01808 0.13814 0.20873 0.09637 -0.14142 -0.00120 -0.12721 0.06884 -0.00586 0.03572 0.00014 -0.03523 -0.00338 -0.05074 -0.03600 0.23856 0.19573 -0.00035 -0.53803 0.25055 -0.02820 -0.42690 -0.33725 -0.65130 0.07168 -0.18273 0.09093 0.04185 -0.00235 0.00140 0.00213 0.28060 -0.24771 0.03028 -0.02690 0.02104 0.00806 0.00374 0.00194 -0.00037 -0.00003 -0.00008 0.15775 -0.01891 -0.06978 0.03590 0.03925 0.18780 -0.07763 0.01859 0.01831 0.06017 -0.13986 0.55374 0.16183 0.07445 0.05312 -0.13207 -0.16432 0.01976 -0.04714 -0.11546 0.03762 -0.03910 -0.00341 -0.00437 0.02901 0.08553 -0.06407 0.17886 -0.18327 -0.01471 -0.39948 -0.05780 0.27143 0.78370 0.19094 -0.16564 -0.05736 -0.09479 0.16306 0.03367 0.02222 -0.01330 -0.06758 0.00940 -0.00335 0.08087 0.01964 -0.00331 -0.00521 -0.00610 0.00061 -0.00014 0.00001 -0.00003 0.05090 -0.00031 -0.02897 0.01374 -0.00099 0.06352 0.24612 -0.05858 0.01372 0.02365 0.44722 0.16994 -0.51585 0.01867 0.00926 -0.04423 -0.04679 -0.05777 -0.01184 -0.03913 -0.11430 -0.01575 0.00996 -0.00020 -0.09261 0.03014 -0.01688 0.04768 -0.06406 0.05044 -0.10609 -0.02685 -0.89140 0.25122 0.07473 -0.02898 -0.02004 -0.02341 0.04800 0.00899 -0.07211 0.04620 -0.02093 -0.00786 0.00793 0.02368 0.00710 -0.00178 -0.00194 -0.00208 0.00051 -0.00173 0.00304 -0.00057 0.01486 0.01348 -0.03363 -0.03145 -0.02329 0.01520 0.00196 -0.00089 0.02823 -0.02790 0.00649 0.01105 -0.01657 0.54001 0.55333 0.72181 -0.52886 -0.01716 -0.02087 0.20699 -0.01449 0.32829 -0.00701 0.36303 0.00481 -0.78054 -0.67268 -0.07899 -0.54070 0.00086 -0.40497 1.33991 0.06010 -0.21315 1.36546 3.28012 -0.84767 -0.25624 0.24505 -0.82861 0.01675 -0.01455 0.13491 -2.08561 1.55382 -0.60316 0.06486 -0.15453 -0.01593 -0.04686 -0.00324 -0.00036 -0.00077 0.00015 0.00069 -0.00316 0.01087 0.01108 0.02510 0.02309 -0.01881 0.00616 0.00096 0.00404 -0.05686 0.26530 0.14618 0.06395 0.06457 -0.26149 -0.11777 0.16208 -0.17022 -0.25997 0.04373 0.08915 0.06224 -0.37085 -0.05857 0.26492 0.02757 0.00225 -0.65821 0.01910 0.05365 -1.04798 -0.48412 -1.56207 -0.50315 0.66386 -0.15308 0.32406 -0.91128 0.00267 -0.06067 0.05089 0.26830 -0.52437 -0.36163 0.74046 0.00353 0.02639 -0.00867 0.12290 -0.00104 -0.00005 -0.00035 0.00006 -0.00030 -0.00144 0.00463 0.00465 0.00869 0.00687 0.05991 -0.01945 -0.00089 0.00227 0.18197 0.08275 -0.46589 0.00120 0.00131 -0.10756 -0.02058 -0.51126 -0.05342 -0.09074 -0.13184 0.01286 -0.19689 -0.12925 0.18807 0.11118 0.03364 0.00310 -0.18747 -0.04814 0.03123 -0.37799 1.58971 -0.46350 -0.21252 0.09113 -0.01937 0.11118 -0.29487 0.03170 0.19386 -0.17075 0.07862 -0.08776 -0.17033 0.25688 -0.00104 0.01379 -0.00210 0.04049 0.00000 0.00070 -0.00008 0.60041 -0.01902 -0.09364 -0.07148 0.03687 -0.00486 -0.00695 -0.00001 -0.00003 0.00501 0.00816 0.00001 -0.01510 0.00005 -0.06583 0.00215 0.02727 -0.05531 0.00027 -0.00675 -0.01230 0.00009 -0.00314 0.00001 -0.00096 0.00003 0.00592 -0.00280 -0.02871 0.02755 -0.00023 -0.03315 -0.02682 0.00005 -0.01261 0.00135 -0.01412 -0.10001 0.10234 0.06232 -0.00524 0.00010 -0.00006 -0.00106 0.01402 0.02911 0.00849 -0.75409 0.11920 -1.58754 0.00188 0.00002 0.00065 -0.00003 0.43398 -0.02382 -0.11782 -0.09035 0.04697 -0.00626 -0.00875 -0.00001 -0.00004 0.00656 0.01073 0.00001 -0.01994 0.00007 -0.08410 0.00148 0.03525 -0.07268 0.00035 -0.00904 -0.01572 0.00013 -0.00474 0.00002 -0.00173 0.00005 0.00833 -0.00436 -0.04048 0.04058 -0.00034 -0.04567 -0.03803 0.00001 -0.01583 -0.00786 -0.02145 -0.16417 0.16430 0.09547 -0.00885 0.00014 -0.00009 -0.00415 0.02906 0.06158 0.01845 0.82297 -0.13103 1.75065 -0.00286 -0.00012 -0.00072 -0.00034 0.01996 0.06277 0.32097 0.25102 -0.13595 0.01749 0.02025 0.00003 0.00013 -0.01981 -0.03537 -0.00006 0.05884 -0.00025 0.15100 0.03548 -0.06940 0.17017 -0.00092 0.02832 0.04450 -0.00075 0.02213 -0.00010 0.02242 -0.00017 -0.04328 0.03165 0.18120 -0.24032 0.00167 0.18142 0.20025 0.00160 0.02962 0.29867 0.22249 1.56941 -1.49004 -0.70375 0.08846 -0.00043 0.00031 0.12558 -0.48089 -1.04191 -0.37919 -0.20048 0.04565 -0.50257 0.00396 -0.00006 0.00387 0.00174 -0.02328 0.06132 0.27085 0.23313 -0.11115 0.05169 0.07855 0.00018 0.00014 -0.06334 -0.02660 0.00021 0.20811 -0.00032 2.44023 -0.42426 -0.86358 2.18044 -0.00915 0.14871 0.12897 0.00194 0.00549 0.00015 -0.19680 -0.00031 0.09835 -0.21063 0.40508 1.12500 -0.00434 0.83061 -0.69117 -0.00857 0.39653 -0.78599 -2.26785 -4.26407 3.79443 1.69279 -0.05992 -0.00418 0.00483 -0.84971 2.04418 3.48960 1.91988 0.24561 -0.10436 0.93834 0.03074 -0.00014 -0.00030 0.00008 -0.00012 0.03982 0.04708 -0.04665 0.15267 -0.15975 -0.25856 0.00882 0.01405 -0.22835 -0.26801 -0.00557 0.14399 -0.00113 -0.03897 -0.08585 -0.04468 -0.33181 -0.00898 -0.16531 0.03214 0.01300 0.08975 -0.00197 -0.10577 -0.02716 -0.13733 -0.06409 0.70763 -0.04701 0.01046 0.77053 0.05215 0.00006 0.05944 0.03058 -0.32052 -0.13680 0.09785 0.14130 0.13404 0.01098 -0.00900 0.05492 -0.04842 -0.04339 0.07943 0.01434 -0.00612 0.00210 0.00893 -0.00010 -0.00006 -0.00002 0.00011 0.00760 0.02307 0.01073 0.12322 0.15133 -0.09184 -0.07704 -0.12783 0.40053 -0.23305 0.05042 0.02529 0.00719 0.01239 0.05207 -0.07479 -0.05222 0.09787 0.27997 -0.09933 -0.13064 -0.30814 0.01935 0.54262 0.24357 0.45707 -0.41761 0.23058 -0.04191 -0.07464 0.12640 0.06304 -0.00021 -0.17738 -0.03054 0.06420 -0.05640 0.01805 0.03455 -0.23682 -0.11385 0.09453 -0.31987 0.14704 -0.18395 0.05361 0.00363 0.00053 -0.00002 0.00409 -0.00003 -0.00001 -0.00001 0.00004 0.00098 0.00552 0.00493 0.03341 0.05292 -0.01993 0.24726 0.40820 0.13331 -0.06319 -0.16016 0.00326 -0.02407 0.00534 0.01977 -0.02036 -0.00697 -0.31342 0.09433 -0.02892 0.43738 -0.09060 -0.06148 0.17318 -0.77473 0.15052 -0.12796 0.04780 -0.00961 0.23955 0.01285 0.01820 0.00278 -0.05713 -0.01027 0.02954 -0.01271 0.00287 0.00446 -0.07361 0.37699 -0.30821 -0.10110 0.04672 -0.05487 0.01312 0.00066 0.00037 -0.00009 0.00096 -0.00044 0.00324 0.00061 -0.00192 -0.00321 -0.00433 -0.00249 0.03109 -0.02335 -0.05022 0.00194 0.00358 -0.07346 -0.07736 -0.00217 0.05669 -0.00269 0.71840 -0.76371 -0.58401 -0.49711 -0.04037 -0.58428 1.60079 0.05126 -0.75401 0.01735 0.10599 0.05231 0.76419 0.33095 -0.67963 0.57226 -0.04460 -0.11842 -0.56830 -0.00406 -0.14829 0.85774 -0.36903 -0.09744 0.03729 -0.40564 -0.20493 -0.03866 0.02331 -0.53101 0.80366 1.12770 0.99853 -0.09346 -0.00525 0.13241 0.03396 0.00131 0.00057 0.00122 -0.00096 -0.01207 0.00679 0.00132 0.01610 0.02934 -0.02388 -0.01673 -0.03270 0.14402 -0.07217 0.01939 -0.04623 0.02792 0.29926 0.06805 -0.81524 -0.41347 0.38716 1.06182 -0.46989 -0.40678 -0.84793 -0.16802 -0.77853 -0.46995 -2.34291 -1.15517 -0.13129 0.18526 0.35023 -0.29513 -0.39709 0.09219 -0.47011 0.24994 0.08910 -0.03847 -0.07066 -0.02448 0.33556 0.35104 -0.21218 0.72925 -0.49432 1.35471 -0.58359 -0.01581 -0.04934 0.04483 -0.08818 0.00042 0.00007 0.00036 -0.00023 -0.00371 0.00218 0.00059 0.00403 0.01017 -0.00575 0.05377 0.10375 0.04728 -0.01970 -0.06049 -0.01547 -0.09674 0.06995 0.04939 -0.22791 -0.11962 -1.24057 0.35561 -0.18941 1.37651 -0.21339 0.53931 -0.24870 1.48883 -0.76139 -0.37225 -0.01807 0.03237 -1.10143 -0.08376 -0.10738 -0.31012 -0.14088 0.04793 0.03171 -0.00753 -0.02644 0.01040 0.10006 -1.14876 0.69552 0.24136 -0.17612 0.37756 -0.21213 -0.00213 -0.01510 0.00948 -0.02852 0.00001 0.60037 0.00009 -0.00071 -0.07557 -0.06239 0.02681 -0.07402 0.01266 0.01888 -0.00006 0.00000 0.00279 -0.00760 -0.00012 -0.02073 -0.00013 0.01871 -0.03559 -0.05892 -0.02763 0.00003 0.00139 0.01468 -0.00016 0.01697 0.00008 0.00635 0.00006 0.01271 -0.00754 0.04225 -0.00970 0.00011 0.01997 -0.02873 -0.00095 0.06101 -0.09589 0.08082 0.00610 -0.02983 0.06126 0.00315 0.00029 -0.00019 0.02412 -0.01024 -0.01186 -0.00606 -1.55731 0.30731 0.76278 0.01897 0.00015 0.43422 0.00011 -0.00036 -0.09455 -0.07886 0.03395 -0.09456 0.01630 0.02446 -0.00007 0.00000 0.00373 -0.00974 -0.00016 -0.02758 -0.00016 0.02307 -0.04605 -0.07539 -0.03963 0.00004 0.00233 0.02034 -0.00024 0.02391 0.00011 0.00823 0.00009 0.01802 -0.01012 0.05631 -0.00821 0.00010 0.02421 -0.04033 -0.00144 0.09064 -0.15825 0.12783 0.00587 -0.04847 0.09687 0.00389 0.00049 -0.00033 0.03875 -0.02471 -0.02550 -0.00990 1.70332 -0.33842 -0.84297 -0.02815 -0.00041 0.01813 -0.00049 -0.00096 0.26460 0.22603 -0.09879 0.27886 -0.05267 -0.07434 0.00025 0.00004 -0.01097 0.02812 0.00052 0.10416 0.00040 -0.00845 0.10745 0.12335 0.20326 -0.00024 -0.01897 -0.09480 0.00140 -0.09711 -0.00036 -0.02888 -0.00051 -0.06562 0.03657 -0.19316 -0.13243 0.00130 -0.01654 0.14251 0.00990 -0.56856 1.42536 -1.06292 -0.04266 0.51271 -0.85382 0.01447 -0.00510 0.00384 -0.38123 0.43454 0.42556 0.24744 -0.38892 0.10039 0.23568 0.02393 0.00503 -0.01470 0.00294 0.00647 0.12296 0.13991 -0.12217 0.21651 -0.09289 -0.03478 -0.00019 -0.00026 0.03952 0.08515 0.00031 -0.00448 0.00217 -0.89732 1.36943 2.56746 -0.13680 0.00041 0.18722 -0.15493 -0.00841 0.04147 -0.00146 0.52118 -0.00090 -0.59241 0.06349 -0.22203 1.04106 -0.01091 -0.35480 2.27064 -0.01800 1.64455 -1.30917 3.50870 1.13109 -2.46767 2.83861 -0.52946 0.01797 -0.01527 1.18962 -1.44163 -0.91936 -3.00356 0.39916 -0.21041 -0.50946 -0.28493 -0.00010 0.00051 0.00006 0.00024 0.12869 -0.12298 -0.18770 -0.05715 -0.00434 0.28714 0.00668 0.00391 0.12203 0.33673 0.01475 0.05345 0.01993 0.09250 -0.07606 -0.05494 -0.00850 -0.00435 -0.08557 0.24719 -0.00285 -0.27140 -0.01381 0.02119 -0.00532 -0.15529 -0.02821 0.11647 -0.30437 -0.02475 0.38662 1.03868 0.00198 -0.22823 -0.33231 -0.13491 -0.11073 0.10838 0.07093 -0.03401 -0.00212 -0.00074 -0.02585 0.16655 0.01905 -0.27682 -0.00737 -0.00051 -0.00544 -0.00796 0.00009 -0.00036 -0.00007 0.00005 -0.08502 -0.02647 0.07190 0.24430 0.33979 0.03416 -0.06368 -0.03547 -0.12907 0.17436 -0.12828 -0.13918 -0.17587 0.05064 0.31373 0.15314 0.03351 0.03716 0.19080 0.34077 0.05591 -0.25235 0.11884 -0.07109 0.04340 -0.01802 0.12778 0.06362 -0.53017 0.24929 0.32046 -0.55056 -0.00333 0.31702 -0.20034 -0.29089 -0.18055 0.10679 -0.29905 0.02901 0.01765 0.00317 -0.07154 -0.16238 -0.06142 0.01224 -0.00053 0.00263 -0.00158 0.00006 0.00003 -0.00013 -0.00002 0.00001 -0.03142 -0.00413 0.02927 0.07840 0.10655 0.00083 0.20343 0.11214 -0.04506 0.04273 0.40870 -0.04617 0.56205 0.01260 0.10081 0.04812 0.01006 -0.11605 0.06349 0.09622 -0.17749 -0.07246 -0.38004 -0.02292 -0.14013 -0.00151 0.03953 0.01598 -0.16234 -0.77510 0.08886 -0.21048 -0.00134 0.10805 -0.05146 -0.08700 -0.05280 0.02967 -0.09595 0.00992 -0.06283 -0.00396 -0.02186 -0.05618 -0.02007 0.01435 0.00012 0.00084 -0.00030 0.00032 0.00298 0.00168 0.00396 -0.00528 -0.01504 0.01867 0.00370 0.01568 -0.00612 0.06561 0.00187 0.00080 -0.00228 0.03728 0.00596 0.02345 0.01878 1.40509 -0.42106 0.21172 0.23656 0.02201 -0.00045 0.79996 -0.00464 -0.77184 0.00846 -0.18093 -0.01047 -0.88919 -1.62832 0.35168 2.52473 0.04490 0.51793 -1.30709 -0.02275 0.41858 0.87618 -0.82687 -0.72622 -0.33102 0.98809 -0.42610 0.01083 0.00764 -0.53443 0.59179 2.82525 0.09022 -0.00328 -0.15941 0.23915 -0.15013 -0.00224 0.00142 -0.00043 -0.00191 0.02909 -0.00009 0.02279 0.07006 0.10869 0.01242 -0.01680 -0.00853 -0.10646 0.04186 -0.05098 0.12788 -0.16434 0.15797 -0.24975 -0.36868 0.34047 -0.22146 -0.41022 0.46676 0.12728 -0.56112 -0.07857 0.32540 0.08671 2.41384 2.74345 -0.13187 2.42270 -0.54412 1.20865 -0.01341 0.13594 1.26381 -0.13347 -2.38090 0.23871 -0.23722 0.99437 0.87004 -0.09357 -0.05385 0.04378 2.26715 -0.38252 2.37843 -0.01007 0.02863 0.10015 0.17755 -0.00081 0.00039 -0.00028 -0.00041 0.00966 -0.00070 0.00701 0.02134 0.03421 0.00166 0.05417 0.02765 -0.03320 0.01174 0.16220 0.03855 0.53022 -0.00030 -0.06519 -0.12813 0.10240 0.71955 -0.12992 0.11362 -0.38351 -0.15543 0.24399 0.10803 -0.26272 0.78943 0.91698 -0.05275 0.68122 1.65348 0.35608 0.04312 -0.43734 0.37186 -0.06937 -0.71318 0.10031 -0.06047 0.27379 0.28841 0.27700 0.18416 0.03518 0.68667 -0.21684 0.74083 -0.00317 0.01472 0.02309 0.06093 0.00001 -0.00009 0.60042 0.00008 -0.04699 0.06589 -0.09098 -0.02216 0.01751 -0.00052 -0.00001 0.00001 0.00335 0.00759 -0.00001 -0.01922 0.00005 0.06757 -0.00289 0.03483 -0.05168 0.00034 0.01982 -0.01609 -0.00015 0.00377 -0.00002 -0.00654 0.00001 0.00580 0.02378 0.03461 0.00065 -0.00008 -0.03147 -0.00029 -0.00009 0.00936 -0.02043 -0.00647 0.10979 0.10944 -0.00583 -0.01818 0.00003 -0.00003 -0.00314 0.00002 -0.01131 0.00458 -0.32820 -1.73038 0.02620 0.00515 0.00005 -0.00003 0.43404 0.00009 -0.05904 0.08306 -0.11495 -0.02799 0.02257 -0.00063 -0.00002 0.00001 0.00426 0.00995 -0.00002 -0.02515 0.00006 0.08762 -0.00351 0.04549 -0.06865 0.00045 0.02687 -0.02113 -0.00020 0.00485 -0.00004 -0.00938 0.00002 0.00811 0.03260 0.04840 0.00296 -0.00011 -0.04238 0.00173 -0.00019 0.01924 -0.03196 -0.00547 0.17428 0.18175 -0.02002 -0.02158 -0.00002 -0.00001 -0.00347 0.00679 -0.02695 0.00524 0.35841 1.90288 -0.02894 -0.00788 -0.00014 -0.00053 0.01932 -0.00035 0.15995 -0.23003 0.32297 0.07886 -0.06369 0.00122 0.00006 -0.00007 -0.01449 -0.03371 0.00006 0.08894 -0.00019 -0.19582 -0.00272 -0.10344 0.18870 -0.00132 -0.08798 0.04425 0.00055 -0.00018 0.00026 0.05016 -0.00008 -0.02889 -0.11011 -0.23086 -0.10776 0.00090 0.14151 -0.05330 0.00310 -0.29542 0.26224 -0.03417 -1.54466 -1.78689 0.43353 -0.00049 0.00186 -0.00135 0.00356 -0.35011 0.48562 0.19302 -0.06823 -0.51541 0.01101 0.01283 0.00321 0.00257 -0.02009 0.00142 0.10582 -0.21971 0.31719 0.08099 -0.02183 -0.01763 0.00021 0.00016 -0.06209 -0.03473 0.00006 0.10460 -0.00063 -1.94401 0.41323 -1.43423 1.48170 -0.00845 -0.66384 0.67052 0.00746 -0.37493 -0.00041 -0.07787 0.00072 0.17317 -0.40928 -0.05144 1.46345 -0.00683 0.69083 -0.13331 -0.01997 1.76276 -1.24296 -2.10658 4.45308 4.28610 -0.69034 0.26286 -0.01015 0.00958 -0.42247 2.50768 -1.66592 -1.70306 0.02788 0.84718 -0.01722 -0.18460 -0.00030 -0.00014 -0.00024 -0.00011 -0.09276 0.03799 0.06689 0.13758 -0.30994 -0.06586 0.01326 -0.01086 0.19935 0.24470 -0.00686 -0.14186 0.00047 0.02210 0.30722 -0.16416 0.05985 0.00749 -0.22354 0.16335 0.01599 -0.13619 -0.02885 0.19335 0.00821 -0.16736 0.29335 0.72881 -0.02463 0.00558 -0.54473 -0.09999 0.00080 -0.21330 0.10874 0.37304 -0.24210 0.02579 -0.19814 0.22913 0.01054 0.01507 0.01861 -0.12337 -0.05596 0.28151 0.00556 -0.00495 0.00249 0.02354 -0.00004 0.00004 -0.00001 -0.00006 -0.02159 0.02370 -0.00662 0.11591 -0.12227 0.38090 -0.11886 0.09455 -0.02680 -0.25276 0.05930 -0.12933 -0.00215 -0.06417 0.14671 -0.03679 0.01062 -0.07033 0.39166 0.30607 -0.12218 0.16016 0.25417 -0.58312 -0.07447 0.37574 -0.12499 0.28182 0.10070 -0.06609 -0.18329 0.20918 0.01442 -0.05424 0.14448 0.11070 -0.15885 -0.02418 -0.11497 -0.32082 -0.09199 -0.12491 0.28951 -0.03346 0.00934 0.05016 -0.00147 -0.00588 0.00322 0.00247 0.00000 0.00002 0.00000 -0.00002 -0.00353 0.00617 -0.00457 0.03152 -0.02773 0.12301 0.37592 -0.29840 -0.01551 -0.08833 -0.18995 -0.03532 0.00650 -0.02123 0.03503 -0.00471 0.00222 0.22123 0.13253 0.09385 0.36322 0.06372 -0.80782 -0.19011 0.23940 0.12425 -0.04993 0.06294 0.03413 0.20544 -0.03846 0.06961 -0.04282 -0.01021 0.04196 0.02133 -0.04158 -0.00857 -0.02983 -0.11155 0.29195 0.38181 0.09389 -0.00600 0.00527 0.00594 -0.00066 -0.00168 0.00093 -0.00007 -0.00091 -0.00095 0.00093 -0.00122 0.01053 0.00748 0.00853 0.01835 -0.08000 -0.01303 0.00407 -0.00312 0.06480 0.05171 -0.00087 -0.00859 0.00064 0.84093 1.11522 -0.18312 -0.39813 0.05156 -0.81080 0.10927 0.04296 -0.03811 0.03130 -0.39144 -0.01248 0.06284 -1.31492 -0.69078 0.94174 -0.05551 0.61180 -0.19230 -0.02593 0.17065 0.04287 0.42285 -0.04355 0.01376 0.22125 -0.78219 -0.03105 -0.04049 0.05781 -0.81758 0.91358 0.41275 0.04877 -0.04264 0.03034 0.04279 0.00034 0.00017 0.00063 0.00006 0.01751 0.00196 -0.02001 0.01059 -0.05229 0.11662 -0.03615 0.02636 0.01790 -0.05825 0.00811 0.00412 -0.00549 -0.01097 0.45233 0.02561 -0.45689 -0.42167 0.79574 0.70819 -0.39421 1.35853 -0.27999 1.41797 0.10729 -1.00872 0.14945 -0.37164 -0.23044 0.44474 -0.16814 1.06246 0.19246 0.47621 0.66694 0.58763 -0.02275 0.00047 0.44833 0.55133 0.30140 0.30292 -0.82822 -0.71333 0.45286 -0.17291 -0.00340 -0.02603 -0.00162 -0.00380 0.00014 0.00009 0.00017 0.00006 0.00510 0.00035 -0.00663 0.00257 -0.01373 0.03729 0.11387 -0.08327 0.00337 -0.02027 -0.02622 0.00178 0.01556 -0.03352 0.10223 0.01878 -0.12375 1.34026 0.28446 0.23139 1.13473 0.45282 0.89534 0.45977 -0.34893 -0.32015 0.09044 -0.09213 -0.11590 -1.39736 -0.07190 0.34107 -0.62583 0.13729 0.20991 0.16741 -0.00519 -0.00232 0.13570 0.20550 -0.94729 -0.92786 -0.27253 -0.19793 0.10984 -0.07029 -0.00296 -0.00688 -0.00163 -0.00276 0.00004 -0.00035 -0.00008 -0.00039 0.01055 0.08690 0.08610 -0.06070 0.06906 0.05894 0.10497 0.18356 0.13727 0.01432 -0.10325 -0.01148 -0.08720 -0.01791 -0.03310 0.02051 -0.02536 0.07596 -0.05454 0.07052 -0.08722 0.00412 -0.02943 0.00981 -0.07537 0.02184 -0.03093 -0.01992 -0.03165 -0.00131 0.01046 -0.03396 0.09869 -0.09376 0.21315 -0.13866 -0.05037 0.19813 0.42479 0.33719 -0.81258 0.66544 0.51740 -0.46532 -0.40998 -0.29926 0.02326 -0.00092 0.00893 -0.00317 -0.00011 0.00119 0.00012 0.00381 -0.00956 0.00733 0.02338 -0.02444 0.04083 0.03910 0.07134 0.13301 0.09944 0.01505 -0.10995 -0.03731 -0.13655 -0.49777 -0.38105 0.38550 -0.96718 1.06028 -0.80832 0.86237 -1.32128 -0.02282 -0.38299 0.00498 -0.31529 0.48926 0.22258 -0.10610 0.30248 0.23085 0.03932 -0.30808 0.21203 0.05898 0.61323 0.24569 0.89178 -1.03212 -0.78006 -0.52802 1.49638 -1.14706 -0.79041 0.40542 -0.08191 0.34922 -0.11645 0.01595 -0.12438 0.01027 0.00004 -0.00036 -0.00008 -0.00039 0.01058 0.08691 0.08603 -0.06098 0.06824 0.05899 -0.10564 -0.18461 0.13500 0.01445 0.10399 -0.01168 0.08780 -0.01774 -0.03225 0.02028 -0.02645 -0.07637 -0.05334 0.07111 0.08640 0.00703 0.02948 0.00945 0.07579 0.02166 -0.02998 -0.01990 -0.03207 0.00152 0.01146 -0.03399 -0.09464 -0.09381 0.21511 -0.14178 -0.05044 0.19960 0.41895 0.35170 0.81012 -0.66566 0.51445 -0.46608 -0.40743 -0.30174 0.02334 -0.00097 0.00890 -0.00324 -0.00011 0.00120 0.00012 0.00382 -0.00961 0.00725 0.02349 -0.02455 0.04061 0.03912 -0.07185 -0.13370 0.09740 0.01520 0.11044 -0.03674 0.13984 -0.49633 -0.37502 0.38962 -0.97939 -1.05674 -0.79209 0.87494 1.31485 0.01740 0.38425 0.00289 0.31862 0.48425 0.21901 -0.10624 0.30365 -0.23961 0.04142 -0.30995 -0.20542 0.05559 0.61064 0.23697 0.89382 -1.03639 -0.76944 -0.55233 -1.49138 1.14598 -0.78722 0.41072 -0.09023 0.35536 -0.11700 0.01615 -0.12428 0.01050 -0.00005 -0.00019 -0.00018 -0.00031 0.01398 0.08165 0.07297 -0.10142 -0.06155 0.05837 0.00040 0.00103 -0.23655 0.12571 -0.00071 -0.01021 -0.00061 -0.02195 0.05248 -0.07078 -0.06981 0.00090 0.09050 -0.02203 0.00168 -0.11302 -0.00029 -0.01946 -0.00052 -0.06004 0.06075 -0.01471 0.02559 0.00001 0.04452 -0.07368 0.00079 -0.08933 0.21039 0.16811 -0.18460 0.09839 0.42138 -0.60680 0.00618 -0.00144 -0.72032 0.16074 -1.03807 -0.06655 0.01669 0.00593 0.01075 0.00495 0.00072 0.00046 0.00109 0.00340 -0.01073 0.01291 0.01124 -0.04238 -0.03592 0.02815 0.00029 0.00054 -0.14109 0.09343 -0.00046 -0.10172 -0.00248 -0.43454 0.21620 -0.57096 -1.20728 0.00949 1.08896 -0.44000 0.02043 -1.27615 -0.00178 0.04811 -0.00276 -1.00289 -0.86598 -0.10018 0.64391 -0.00077 -0.15956 -0.22397 0.00128 -0.44252 0.54462 0.14019 1.08538 -1.06614 -0.51380 0.96359 -0.00756 0.00166 1.48302 -0.73716 1.41025 -0.37158 -0.08767 -0.03397 -0.12487 -0.05428 -0.00026 -0.00050 -0.00012 -0.00039 0.04326 0.05146 -0.01029 0.20203 0.13102 0.00584 0.00000 -0.00020 -0.07901 0.13614 -0.00017 -0.12571 -0.00043 0.00490 -0.04533 -0.09130 0.05012 -0.00039 -0.04489 0.00019 -0.00136 0.11087 0.00022 -0.03140 0.00011 0.03172 -0.12902 0.00062 -0.18409 0.00131 0.04453 -0.04414 0.00094 -0.09821 0.21810 0.20685 0.32325 -0.09127 0.69086 0.27873 0.00095 -0.00145 0.33768 0.97284 0.07281 0.70651 0.03245 -0.00039 0.00498 0.02075 0.00047 0.00178 -0.00062 0.00125 -0.00976 0.00897 -0.00431 0.08164 0.05322 0.00948 0.00000 -0.00014 -0.02305 0.10794 -0.00014 -0.31244 -0.00190 -0.03290 -0.47905 -0.75355 -0.26841 -0.00247 -0.20615 -0.78828 -0.00804 1.05457 0.00250 -0.28025 -0.00122 -1.00006 -2.14552 0.30882 -1.81324 0.01595 -0.97008 -0.08302 0.00457 -1.16604 0.23244 0.89309 -0.56031 0.79141 -1.99149 -0.89069 0.00047 0.00110 -0.78678 -2.42220 0.00687 -1.71864 -0.09119 0.03989 -0.01492 -0.06343 -0.00005 -0.00006 -0.00037 -0.00017 0.02989 -0.05404 0.09622 0.08482 -0.08569 0.19523 0.00007 0.00003 -0.02405 -0.15586 -0.00054 -0.10992 0.00024 0.02649 0.00213 0.05283 0.01200 -0.00011 -0.06761 -0.08007 0.00275 -0.11866 -0.00019 -0.06983 0.00012 0.03270 0.06584 -0.00223 -0.11581 0.00045 -0.04007 0.00880 0.00179 -0.14246 -0.03201 -0.06247 0.38901 0.00685 0.58964 0.46078 0.00199 0.00769 -0.93186 -0.61039 0.50507 0.15666 0.00989 0.01744 0.00567 0.00652 -0.00103 -0.00082 0.00338 0.00052 -0.01377 -0.00375 0.02576 0.05211 -0.03111 0.11753 0.00011 0.00000 -0.02980 -0.11870 -0.00061 -0.22387 0.00113 0.65953 -0.56325 0.57645 -0.27170 0.00217 -0.81672 -1.31908 0.03085 -1.14528 -0.00111 -0.53477 0.00085 0.40541 0.34112 0.10331 -0.80288 0.00392 -0.11846 -0.73213 0.00676 -0.65013 -0.35828 0.06863 -1.20207 -1.03327 -0.70938 -0.94260 -0.00043 -0.01672 1.75819 0.51062 -0.77793 0.36206 -0.01039 -0.14984 -0.03272 0.04787 -0.00014 -0.00012 -0.00051 -0.00013 0.02739 -0.05960 0.10885 0.04120 -0.07816 -0.07951 -0.15575 0.13192 0.05520 0.10862 0.12225 0.03685 -0.06845 0.00634 -0.04517 0.00605 -0.00781 0.10378 0.06301 0.00728 0.08428 0.03813 0.02909 0.03096 -0.02139 -0.00373 0.06183 0.01960 -0.08414 -0.07585 -0.00283 -0.03415 0.03195 -0.06242 -0.00569 -0.18863 0.23035 0.00327 0.26261 -0.79440 0.67323 0.80713 0.29934 -0.31687 0.29725 0.21662 0.01186 0.02285 0.00282 0.00820 -0.00024 -0.00001 0.00413 0.00034 -0.00485 -0.00367 0.01493 0.01630 -0.04840 -0.04677 -0.08519 0.08601 0.04973 0.09444 0.14556 0.01583 -0.13837 0.37467 -0.56973 0.57429 -0.57042 1.14249 1.07384 -0.04928 1.12994 0.68677 -0.10338 0.21065 -0.00551 0.00352 0.66257 0.05673 -0.71593 -0.73314 -0.36319 0.35615 -0.22000 -0.37188 0.28617 0.25193 -1.11682 -1.08361 0.07172 1.09940 -1.25549 -1.42433 -0.49519 -0.11213 -0.16457 0.08084 -0.03642 -0.17835 -0.01161 0.02307 -0.00014 -0.00012 -0.00051 -0.00013 0.02737 -0.05958 0.10883 0.04113 -0.07843 -0.07948 0.15543 -0.13190 0.05545 0.10923 -0.12171 0.03754 0.06824 0.00648 -0.04518 0.00540 -0.00887 -0.10367 0.06283 0.00580 -0.08596 0.03506 -0.02879 0.03120 0.02130 -0.00386 0.06234 0.01973 -0.08285 0.07715 -0.00328 -0.03468 -0.03047 -0.06324 -0.00571 -0.18753 0.23098 0.00297 0.26533 -0.78847 -0.66793 -0.82048 0.28819 -0.31801 0.29667 0.21587 0.01183 0.02283 0.00282 0.00820 -0.00025 -0.00001 0.00413 0.00033 -0.00480 -0.00365 0.01489 0.01636 -0.04851 -0.04660 0.08485 -0.08598 0.04993 0.09502 -0.14511 0.01671 0.13800 0.37427 -0.56981 0.56732 -0.58037 -1.13506 1.06967 -0.06858 -1.16139 0.64625 0.10464 0.21229 0.00533 0.00311 0.66817 0.05583 -0.70811 0.74094 -0.36652 0.35899 0.22997 -0.36771 0.28692 0.25474 -1.11783 -1.08114 0.06671 1.09063 1.25321 1.44201 -0.47404 -0.10892 -0.16356 0.08227 -0.03629 -0.17813 -0.01160 0.02308 1 N 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 2 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 3 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 5 H 1S 2S 6 H 1S 2S 7 H 1S 2S 8 H 1S 2S 9 H 1S 2S 10 H 1S 2S 11 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 1 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 H 1S|2S|6 H 1S|2S|7 H 1S|2S|8 H 1S|2S|9 H 1S|2S|10 H 1S|2S|11 H 1S|2S 1.15986 0.83035 0.89387 0.73393 0.91553 1.12400 0.84565 -0.05558 0.31151 0.27566 1.17422 0.81435 0.72994 0.69128 0.87684 0.93418 0.91760 0.13068 0.22427 0.20050 1.17456 0.81428 0.78064 0.44627 0.89813 0.89773 0.73913 -0.01072 0.19181 0.21501 1.17429 0.81439 0.73956 0.70015 0.82234 0.91785 0.94400 0.10450 0.20497 0.23188 0.50540 0.27382 0.50533 0.27367 0.50621 0.24614 0.51182 0.30696 0.51035 0.30357 0.50956 0.25413 0.50955 0.25406 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 N C C C H H H H H H H -0.034781 -0.693866 -0.146837 -0.653945 0.220781 0.220996 0.247656 0.181227 0.186072 0.236314 0.236383 0.00000 -6.45046808e-02 6.48810404e-01 2.04557184e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.1640 1.6491 0.5199 1.7369 -21.4928 -26.7182 -26.0531 0.3425 -0.0379 -0.3558 3.2619 -1.9635 -1.2984 0.3425 -0.0379 -0.3558 3.5787 -3.0138 2.4743 -1.1361 -2.5163 0.2697 0.2824 -1.5368 1.7224 -0.4904 -388.7490 -60.2986 -41.5351 -9.7015 3.4770 -1.8965 -2.1222 2.1465 -3.6265 -76.1364 -67.2539 -17.7566 -2.9051 4.0837 -2.9089 0 -173.000054 6.149E-9 6.59E-5 2.4251423,-1.4598189,-0.9653234,0.2546403,-0.0281648,-0.2645118 C01 [X(C3H7N1)] -0.0645047 0.6488104 0.2045572 @ -0.000011310 -0.000062994 0.000177338 -0.000018105 -0.000007327 -0.000001044 0.000101520 0.000087120 -0.000236701 -0.000049070 -0.000022746 -0.000078031 0.000000684 -0.000018720 0.000024053 0.000015075 0.000017332 0.000013513 -0.000002331 -0.000036249 -0.000005570 -0.000018646 0.000000150 0.000115163 -0.000008882 0.000036512 0.000027483 0.000026782 0.000014578 -0.000055370 -0.000035717 -0.000007656 0.000019165 50.0388 AuxInfo=1/0/N:2,4,3,1/CRV:3.3,4.2/rA:11N2CC3CHHHHHHH/rB:;s1s2;s1;s2;s2;s2;s3;s4;s4;s4;/rC:;;;;;;;;;;; Gaussian 09 GINC-KIMIK2068 CBGUSER 000144069 EM64L-G09RevD.01 19-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 27 C1[X(C3H7N)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 50.0388 0 1 AuxInfo=1/0/N:2,4,3,1/CRV:3.3,4.2/rA:11N2CC3CHHHHHHH/rB:;s1s2;s1;s2;s2;s2;s3;s4;s4;s4;/rC:;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-25186.inp" -scrdir="/scratch/" chk=000144069-Freq.chk nprocshared=4 mem=3GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000144069 1 2 3 4 5 6 7 8 9 10 11 14 12 12 12 1 1 1 1 1 1 1 14.0030740 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 0 0 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 3.00e-01 1.00e-07 1.00e-07 2 2 Search for a local minimum. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000257 0.000077 0.009019 0.003803 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -6.977899e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 116.1609564801 54 124 54 16 16 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 11 11 11 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 50.0388 AuxInfo=1/0/N:2,4,3,1/CRV:3.3,4.2/rA:11N2CC3CHHHHHHH/rB:;s1s2;s1;s2;s2;s2;s3;s4;s4;s4;/rC:;;;;;;;;;;; 0.000000 2.458497 0.000000 1.300709 1.508842 0.000000 1.476263 3.809497 2.390044 0.000000 3.190339 1.107268 2.164199 4.439667 0.000000 3.185743 1.107357 2.164065 4.436176 1.777832 0.000000 2.578381 1.101419 2.153734 4.051286 1.800428 1.799987 0.000000 2.119138 2.234641 1.117232 2.628037 2.589371 2.592003 3.131275 0.000000 2.191457 4.079398 2.570578 1.114844 4.587084 4.587017 4.582277 2.306110 0.000000 2.109918 4.433305 3.112768 1.105783 5.225062 4.908537 4.556577 3.401639 1.804038 0.000000 2.110476 4.435287 3.114625 1.105814 4.917266 5.223801 4.555313 3.405587 1.804200 1.776429 0.000000 C3H7N C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 50.0388 AuxInfo=1/0/N:2,4,3,1/CRV:3.3,4.2/rA:11N2CC3CHHHHHHH/rB:;s1s2;s1;s2;s2;s2;s3;s4;s4;s4;/rC:;;;;;;;;;;; 37.5701016 3.9370144 3.7310598 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 741 NPrTT= 3675 LenC2= 738 LenP2D= 2953. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 54 RedAO= T EigKep= 6.55D-03 NBF= 54 NBsUse= 54 1.00D-06 EigRej= -1.00D+00 NBFU= 54 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 54 54 54 54 54 MxSgAt= 11 MxSgA2= 11. 1 Closed 1 0 1 -172.904086315372 -172.931695182676 -0.027608867304 -172.981828173984 -0.050132991308 -172.835035966580 0.146792207403 -172.981891711184 -0.146855744604 -173.000067314089 -0.018175602904 -173.000094327196 -0.000027013107 -173.000094849210 -0.000000522014 -173.000054167564 0.000040681646 -173.000054182302 -0.000000014737 -173.000054182010 0.000000000292 -173.000054191897 -0.000000009887 -173.000054191960 -0.000000000063 -173.000054191964 -0.000000000004 -173.000054191963 0.000000000001 -173.000054192 15 1.720995719900e+02 -6.342253109344e+02 1.729647282723e+02 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=2005071. IVT= 28060 IEndB= 28060 NGot= 402653184 MDV= 401521770 LenX= 401521770 LenY= 401518413 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 1485 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 11. Will process 12 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 402653016 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=1978635. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 1485 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 36 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 33 vectors produced by pass 0 Test12= 1.69D-15 2.78D-09 XBig12= 7.10D+01 6.47D+00. AX will form 33 AO Fock derivatives at one time. 33 vectors produced by pass 1 Test12= 1.69D-15 2.78D-09 XBig12= 1.65D+01 1.18D+00. 33 vectors produced by pass 2 Test12= 1.69D-15 2.78D-09 XBig12= 1.56D-02 2.35D-02. 32 vectors produced by pass 3 Test12= 1.69D-15 2.78D-09 XBig12= 2.42D-06 3.35D-04. 10 vectors produced by pass 4 Test12= 1.69D-15 2.78D-09 XBig12= 1.17D-10 2.34D-06. 2 vectors produced by pass 5 Test12= 1.69D-15 2.78D-09 XBig12= 1.78D-15 8.90D-09. InvSVY: IOpt=1 It= 1 EMax= 1.78D-15 Solved reduced A of dimension 143 with 36 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 40.85 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 57.298 4.566 36.704 0.003 -0.002 28.554 88.091 18.081 64.908 -0.010 -0.016 42.573 (Enter /mnt/data/applications/G09/g09/l716.exe) PT70.500S 2017-07-19T05:45:33.000+02:00 -13.99030 -9.93631 -9.91098 -9.88978 -0.83341 -0.67545 -0.60643 -0.49230 -0.42592 -0.38807 -0.38535 -0.36206 -0.33561 -0.32191 -0.24734 -0.19086 -0.03464 0.09619 0.10320 0.12794 0.13929 0.15525 0.16655 0.17510 0.18972 0.19489 0.24543 0.25597 0.27075 0.27619 0.31267 0.33368 0.38216 0.38688 0.43892 0.53997 0.58104 0.59802 0.63795 0.75830 0.88190 0.89330 0.98135 1.03340 1.04609 1.06913 1.08358 1.17592 1.19899 1.38163 22.43041 22.55260 22.62528 31.48927 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 N C C C H H H H H H H -0.034819 -0.693893 -0.146761 -0.653996 0.220780 0.221002 0.247663 0.181210 0.186079 0.236331 0.236403 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 N C C C -0.034819 -0.004447 0.034449 0.004817 0.00000 5.33476872e-02 6.81277424e-01 1.43780903e-03 5.72980454e+01 4.56599316e+00 3.67036063e+01 3.05583970e-03 -2.49910167e-03 2.85541004e+01 -22.0077 0.0004 0.0007 0.0008 13.3198 14.0054 163.2769 229.0102 259.1297 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 163.2615 229.0092 259.1282 296.3947 519.3099 857.9066 861.0800 1025.7267 1067.8798 1085.4093 1106.3013 1155.9336 1354.0310 1385.8442 1412.0436 1453.7143 1454.6810 1461.1743 1470.7220 1668.6839 2893.5948 2906.2664 2975.0383 3030.5537 3050.8607 3061.6238 3114.9333 1.0664 1.4532 2.0904 2.4711 2.8320 2.1731 1.1304 3.4124 1.5804 1.4319 1.4155 2.0435 1.2616 1.2999 1.1670 1.0446 1.0594 1.0483 1.0592 6.5458 1.0833 1.0477 1.0380 1.0844 1.0965 1.0991 1.0988 0.0167 0.0449 0.0827 0.1279 0.4500 0.9424 0.4938 2.1153 1.0618 0.9939 1.0207 1.6088 1.3628 1.4710 1.3710 1.3007 1.3208 1.3187 1.3498 10.7389 5.3443 5.2138 5.4131 5.8678 6.0134 6.0702 6.2813 1.0178 11.8734 4.2981 8.5857 1.0030 6.6821 14.8189 14.2070 0.0298 3.5222 4.5430 2.1749 0.1889 28.6514 3.1119 13.1265 14.4967 16.1393 28.1766 51.1044 63.6828 139.5241 18.5787 39.0025 24.8422 26.3480 18.9956 7 6 6 6 1 1 1 1 1 1 1 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 -0.06 0.00 0.00 0.02 0.19 0.37 0.31 -0.20 -0.37 0.30 0.00 0.00 -0.39 0.00 0.00 -0.12 0.00 0.00 -0.25 0.11 0.24 0.20 -0.11 -0.24 0.20 0.00 0.00 0.17 0.00 0.00 -0.03 0.00 0.00 -0.08 0.00 0.00 -0.03 0.10 0.20 0.12 -0.10 -0.20 0.12 0.00 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 0.32 -0.27 -0.32 -0.34 0.27 0.32 -0.34 0.00 0.00 0.14 0.00 0.00 -0.13 0.00 0.00 0.20 0.00 0.00 -0.14 -0.23 0.17 -0.19 0.23 -0.18 -0.19 0.00 0.00 -0.37 0.00 0.00 0.26 0.00 0.00 -0.51 -0.13 0.28 -0.09 0.12 -0.28 -0.09 0.05 0.20 0.00 -0.04 -0.14 0.00 0.05 0.19 0.00 -0.05 -0.16 0.00 0.08 -0.32 0.00 0.08 -0.32 0.00 -0.40 -0.16 0.00 0.16 0.20 0.00 -0.40 -0.18 0.00 0.06 -0.32 0.00 0.06 -0.33 0.01 -0.12 0.12 0.00 0.24 0.00 0.00 0.10 -0.13 0.00 -0.22 -0.01 0.00 0.12 0.18 0.01 0.12 0.18 -0.01 0.61 0.01 0.00 0.30 -0.08 0.00 -0.45 -0.02 0.00 -0.14 -0.13 0.00 -0.14 -0.13 0.00 0.06 -0.15 0.00 0.16 0.05 0.00 -0.02 0.11 0.00 -0.18 0.03 0.00 0.35 -0.32 -0.04 0.37 -0.33 0.03 -0.42 0.01 -0.01 -0.29 0.06 -0.03 0.08 0.04 0.01 -0.21 0.15 0.03 -0.23 0.16 -0.03 0.00 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 0.07 0.00 0.00 -0.02 -0.38 0.13 -0.11 0.36 -0.12 -0.11 0.01 0.00 -0.17 0.01 0.00 -0.72 0.00 0.00 0.14 0.20 -0.08 0.06 -0.19 0.07 0.07 0.25 -0.12 0.00 -0.19 -0.05 0.00 0.16 0.03 0.00 -0.23 0.08 0.00 -0.35 0.29 0.05 -0.34 0.29 -0.05 0.19 -0.01 0.00 0.49 0.06 0.00 -0.22 0.06 0.00 -0.14 0.05 0.04 -0.14 0.05 -0.04 0.00 0.00 0.02 0.00 0.00 0.14 0.00 0.00 -0.17 0.00 0.00 0.03 -0.50 0.08 -0.15 0.51 -0.08 -0.15 0.00 0.00 -0.29 0.00 0.00 0.50 0.00 0.00 -0.09 -0.13 0.03 -0.04 0.13 -0.03 -0.04 -0.01 0.04 0.00 0.03 -0.09 0.00 -0.04 0.10 0.00 -0.02 -0.13 0.00 -0.06 0.14 0.04 -0.05 0.14 -0.04 0.36 -0.06 0.00 0.13 0.14 0.00 0.65 -0.08 0.00 -0.23 0.31 0.06 -0.23 0.32 -0.06 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.15 -0.03 0.02 0.00 0.03 -0.02 0.00 0.00 0.00 0.01 0.00 0.00 -0.34 0.00 0.00 -0.32 -0.58 0.13 -0.15 0.58 -0.13 -0.15 -0.03 0.08 0.00 -0.07 0.15 0.00 0.16 -0.15 0.00 -0.03 -0.10 0.00 0.01 -0.15 -0.07 0.01 -0.15 0.07 -0.62 0.12 0.00 0.36 -0.11 0.00 0.40 -0.06 0.00 -0.17 0.20 0.04 -0.18 0.20 -0.04 -0.06 -0.08 0.00 -0.03 0.05 0.00 -0.06 0.05 0.00 0.03 0.02 0.00 0.20 -0.15 0.04 0.20 -0.15 -0.04 0.15 0.05 0.00 0.87 0.19 0.00 0.02 0.00 0.00 0.02 -0.12 -0.07 0.02 -0.12 0.07 -0.03 -0.04 0.00 0.14 -0.03 0.00 -0.04 0.03 0.00 0.02 0.01 0.00 -0.43 0.24 -0.21 -0.43 0.23 0.21 -0.55 -0.06 0.00 0.30 0.08 0.00 -0.01 0.00 0.00 0.00 -0.06 -0.04 0.00 -0.06 0.04 0.00 -0.02 0.00 -0.01 -0.01 0.00 0.03 0.01 0.00 0.11 -0.02 0.00 0.03 0.05 0.05 0.03 0.05 -0.05 -0.02 0.00 0.00 -0.03 0.00 0.00 -0.47 -0.04 0.00 -0.53 0.15 -0.28 -0.52 0.15 0.28 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.03 0.04 0.00 0.02 -0.05 0.01 0.01 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.71 -0.18 0.45 0.06 0.19 -0.45 0.06 -0.03 -0.01 0.00 -0.01 -0.05 0.00 0.02 0.00 0.00 -0.01 0.01 0.00 0.30 0.42 0.38 0.31 0.41 -0.37 -0.37 -0.05 0.01 0.00 0.00 0.00 0.11 0.01 0.01 0.03 -0.08 -0.02 0.04 -0.10 0.02 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 0.01 -0.18 0.43 0.05 0.17 -0.45 0.06 0.00 0.00 0.73 0.00 0.00 0.06 0.00 0.00 -0.07 0.02 -0.04 -0.01 -0.02 0.05 -0.01 0.01 0.02 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 -0.02 0.06 0.00 -0.05 -0.05 -0.05 -0.05 -0.05 0.05 0.08 0.00 0.00 -0.14 -0.02 0.00 0.49 0.05 0.00 -0.22 -0.45 -0.32 -0.22 -0.45 0.33 0.36 0.20 0.00 0.06 0.01 0.00 -0.47 -0.27 0.00 -0.03 0.02 0.00 0.22 0.04 0.11 0.22 0.04 -0.10 -0.23 -0.02 0.00 0.46 -0.16 0.00 -0.05 0.01 0.00 -0.20 0.04 -0.10 -0.20 0.04 0.10 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.08 0.00 0.01 -0.02 0.00 0.02 0.02 -0.05 0.02 0.02 0.05 0.00 0.01 0.00 0.14 -0.95 0.00 0.01 0.24 0.00 -0.03 -0.03 0.06 -0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.02 -0.05 0.00 -0.01 -0.01 0.02 -0.01 -0.01 -0.02 0.00 0.01 0.00 -0.02 0.25 0.00 -0.04 0.87 0.00 -0.13 -0.12 0.23 -0.13 -0.12 -0.23 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.29 -0.22 0.52 -0.29 -0.22 -0.53 -0.01 0.42 0.00 0.02 -0.08 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.03 -0.40 0.00 -0.29 -0.21 0.53 -0.30 -0.21 -0.54 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.26 -0.55 -0.35 -0.25 -0.56 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.34 0.26 -0.56 -0.34 -0.26 -0.56 0.00 0.00 0.00 -0.02 -0.09 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.14 0.08 -0.24 0.13 0.08 0.24 -0.04 0.91 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 7 6 6 6 1 1 1 1 1 1 1 14.00307 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 57.05785 48.03663 458.40351 483.70739 0.99996 -0.00923 1.0E-5 0.00923 0.99996 2.3E-4 -2.0E-5 -2.3E-4 1.0 asymmetric 1 1.80308 0.18895 0.17906 37.57010 3.93701 3.73106 247155.1 234.90 329.49 372.83 426.45 747.17 1234.33 1238.90 1475.79 1536.44 1561.66 1591.72 1663.13 1948.15 1993.92 2031.61 2091.57 2092.96 2102.30 2116.04 2400.86 4163.23 4181.46 4280.41 4360.29 4389.50 4404.99 4481.69 0.094136 0.099523 0.100467 0.066818 -172.905918 -172.900532 -172.899587 -172.933236 62.451 17.581 70.820 0.000 0.000 0.000 0.889 2.981 38.046 0.889 2.981 23.881 60.674 11.619 8.894 1 0.623 1.888 2.512 2 0.652 1.797 1.887 3 0.668 1.747 1.668 4 0.690 1.680 1.437 5 0.874 1.207 0.612 0.184506e-30 -30.733990 -70.767628 0.367840e+13 12.565658 28.933498 0.294804e-42 -42.530467 -97.930018 1 0.123704e+01 0.092384 0.212721 2 0.860418e+00 -0.065291 -0.150337 3 0.749879e+00 -0.125009 -0.287843 4 0.642930e+00 -0.191837 -0.441720 5 0.311020e+00 -0.507211 -1.167897 0.587736e+01 0.769182 1.771107 1 0.183427e+01 0.263462 0.606645 2 0.149515e+01 0.174684 0.402225 3 0.140129e+01 0.146527 0.337391 4 0.131447e+01 0.118750 0.273432 5 0.108884e+01 0.036964 0.085114 0.100000e+01 0.000000 0.000000 0.169406e+08 7.228928 16.645223 0.369443e+05 4.567548 10.517168 000144069 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.1356 1.7316 0.0037 1.7369 -21.4781 -27.0518 -25.9139 -0.2291 0.0018 0.0020 3.3365 -2.2372 -1.0993 -0.2291 0.0018 0.0020 -3.6673 2.7546 0.0273 1.1776 -1.2983 0.0024 -0.4738 -0.2050 -0.0124 -0.0063 -389.6778 -61.8697 -38.8480 5.7881 0.0080 -3.9619 0.0138 0.0231 -0.0007 -76.5589 -66.4219 -17.7335 -0.0103 -0.0171 2.9521 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -173.0000542 3.603E-9 7.699E-5 0.0941364 0.0995226 C01 [X(C3H7N1)] -0.064507 0.6488297 0.2045626 -0.4663203 -0.0396719 -0.0088886 0.2322391 -0.445616 -0.0397554 0.0772501 -0.0301079 -0.3571487 -0.3314161 -0.0475267 -0.0010277 -0.02094 -0.0005803 -0.0232695 0.0048846 -0.0218296 0.0690781 0.6159849 -0.0235058 -0.0318391 0.0076224 0.4680767 0.1759823 -0.0207972 0.1764012 -0.0394491 0.207039 0.0298434 0.008735 0.0289023 0.2914163 0.0349412 0.0087181 0.0347905 0.1893294 0.0090351 -0.0005361 0.0826474 -0.0308426 0.1162459 -0.0402033 0.1194948 -0.0224112 -0.0914137 -0.0041881 0.0515907 -0.0699926 0.048 0.0232784 0.1129402 -0.117089 0.0941803 0.0147824 0.0988757 0.0230754 0.0078223 -0.0583972 -0.090953 -0.0622358 -0.0170638 -0.0653668 0.0984887 -0.0358572 -0.0741794 -0.015941 -0.0203266 -0.2584058 -0.1322165 0.000437 -0.1301144 0.125543 -0.0538968 0.0225247 0.0123877 -0.1633242 -0.2293659 -0.0967774 -0.0463422 -0.1032236 0.0640949 -0.0117031 0.002966 0.0832389 -0.0590635 0.1060459 -0.0354779 0.1357418 -0.0153052 -0.0877507 -0.027553 0.0554198 -0.0671424 0.0361302 0.0198577 0.106072 -0.1452342 0.0829867 0.0144456 57.4094749|-3.7394033|35.7608671|-2.1903219|2.3982227|29.3854101 0.66078407 -0.17729149 0.33981548 -0.07603756 0.08509617 0.11849334 -0.04093425 0.00065297 0.00142161 0.48128339 0.02315788 0.00898721 0.00369149 -0.02356483 0.55879346 0.00855377 0.00450509 -0.00431698 -0.00670097 0.01633580 0.51449490 -0.37508415 0.17451735 0.06654526 -0.19683511 -0.05644810 -0.01320866 0.72207757 0.24315580 -0.23966236 -0.06909077 -0.04940915 -0.10481154 -0.00972333 -0.11191415 0.60286626 0.08801751 -0.06657994 -0.07144426 -0.01098797 -0.00950696 -0.07076236 -0.05506510 0.14273815 0.20656989 -0.17518934 -0.00714470 0.00124736 0.00276077 0.00283861 0.00142808 -0.05085602 -0.02390514 -0.00556855 0.45505998 -0.07040778 -0.07691144 0.00216570 -0.00045024 0.00024941 -0.00529889 0.03220955 -0.01354035 -0.00647949 -0.05052531 0.51692982 -0.01867354 -0.00010516 -0.07508541 0.00036033 -0.00540372 0.01551467 0.01210335 -0.00446827 0.00150823 -0.01288496 -0.00423961 0.53519163 -0.00223206 -0.00335144 0.00157516 -0.09247435 0.00853777 0.10449025 -0.01699357 0.00597397 0.02807805 -0.00120094 0.00124583 -0.00311553 0.10618775 -0.00014865 -0.00048613 -0.00000337 0.00737877 -0.04591665 -0.02095850 -0.00359932 0.00118122 0.00977244 0.00009351 0.00093901 -0.00047311 -0.01002252 0.04541211 -0.00064591 0.00063332 0.00000332 0.10274981 -0.02141421 -0.24078148 -0.00427515 -0.00160273 0.00395648 -0.00016994 0.00022879 -0.00043651 -0.11307336 0.02195559 0.26395094 -0.00225860 -0.00193051 -0.00307758 -0.10479802 0.07201602 -0.08660624 -0.01839153 0.02039059 -0.01863879 -0.00095507 -0.00077352 0.00334532 0.00646592 -0.00760853 0.01112753 0.11958623 -0.00051418 -0.00006345 -0.00006642 0.06998250 -0.12463269 0.09258568 -0.00631629 0.00614822 -0.00846329 0.00002813 0.00035264 0.00109446 -0.00012482 0.00042603 -0.00326405 -0.07854122 0.13211830 0.00059608 -0.00052781 -0.00030002 -0.08578426 0.09298773 -0.14942041 0.00247328 0.00168138 0.00033170 0.00023844 0.00037639 -0.00010413 -0.01534166 0.01722534 -0.01962467 0.09307939 -0.10351751 0.16357796 0.00342263 0.00051052 -0.00001520 -0.04472880 -0.00185552 -0.00057012 -0.00305763 -0.03581938 -0.01098559 0.00015584 0.00071698 0.00020834 0.00006244 0.01368749 0.00348685 0.00016918 0.01483010 0.00526687 0.04887966 0.00188705 0.00113510 0.00062628 -0.00675907 -0.28870776 -0.07469226 0.00128154 -0.01218605 -0.00349111 0.00042853 0.00082166 0.00022810 -0.00130988 -0.00111366 0.00282978 -0.00203763 -0.01406627 -0.00736341 0.00780981 0.31338911 0.00044035 0.00066238 -0.00087330 -0.00206234 -0.07484995 -0.06868972 0.00041435 -0.00228465 -0.00176828 0.00012860 0.00022043 0.00007651 -0.00140000 -0.02685761 -0.00727848 0.00032903 0.02130276 0.00552335 0.00231898 0.08232066 0.07080695 -0.00374826 0.02860976 0.01010745 -0.00216442 -0.02671154 -0.00806141 -0.06157940 -0.03409007 -0.01027573 0.00546523 0.00745351 0.00181836 0.00071144 0.00042666 0.00077137 0.00072199 0.00082975 -0.00041999 -0.00526948 -0.00160612 -0.00025111 0.06516421 0.00301602 -0.02653997 -0.01709604 0.00232311 -0.00579832 -0.00347227 -0.03125446 -0.24341600 -0.05942966 -0.00365490 0.00333933 0.00406426 -0.00048652 -0.00013676 0.00052399 -0.00112778 -0.00014716 -0.00066364 -0.00050215 0.00077877 -0.00049372 0.02861365 0.27002682 0.00209587 -0.01807750 0.02196279 0.00099042 -0.00249901 0.00422603 -0.00938815 -0.05923050 -0.06776809 -0.00165638 0.00369725 -0.00802972 -0.00123085 -0.00069767 0.00017194 0.00069439 0.00047508 0.00013353 0.00010609 -0.00044490 0.00225892 0.00747755 0.07582839 0.04756098 -0.01327914 -0.03094785 -0.00914160 -0.00054246 0.00090266 0.00031333 0.00544823 -0.00928663 -0.00314657 -0.04836607 -0.00089531 -0.00030308 -0.00015236 0.00003254 0.00007468 -0.00015245 0.00005962 -0.00003592 0.00037604 0.00043606 0.00012068 0.00058216 0.00362131 0.00108053 0.05424388 -0.00910301 -0.01452184 -0.00578416 -0.00015726 0.00087165 0.00023350 0.00434081 0.00298376 0.00114704 -0.00013011 -0.25284452 -0.06468280 -0.00019036 -0.00006833 0.00009206 -0.00017715 0.00001665 -0.00009217 0.00057557 -0.00000689 -0.00001613 -0.00294352 0.00163144 0.00083359 0.00880720 0.28078330 -0.00219813 -0.00498685 0.00339113 -0.00002633 0.00020005 0.00021153 0.00112651 0.00162415 -0.00066947 -0.00006908 -0.06465525 -0.06891506 -0.00002791 0.00002470 0.00003550 -0.00007902 -0.00004268 -0.00004552 0.00016909 -0.00001187 -0.00002861 -0.00097727 0.00061919 -0.00050986 0.00243552 0.07450973 0.06784219 -0.02493250 0.00064401 0.02754908 -0.00088029 0.00146187 -0.00271593 -0.00238729 -0.00294914 0.00065640 -0.08663517 0.00947423 0.09861842 0.00046454 0.00000757 0.00006569 -0.00084498 -0.00028113 0.00000835 -0.00000113 -0.00007582 0.00002517 0.00010719 -0.00066057 0.00117549 0.00088675 -0.00040666 -0.00012489 0.10732497 -0.00606021 0.00094439 0.01026953 -0.00006296 0.00073493 -0.00047469 -0.00074641 -0.00016951 0.00040814 0.00871605 -0.04708436 -0.02310950 0.00001020 -0.00013101 0.00003575 -0.00025561 -0.00009885 -0.00003215 0.00002276 -0.00004970 0.00006534 -0.00032277 0.00019176 -0.00027277 0.01309856 -0.00310781 -0.02689234 -0.00722553 0.04788877 -0.00237870 -0.00104641 0.00644046 0.00014116 0.00017055 -0.00039411 -0.00239740 0.00103857 0.00044150 0.10177481 -0.02173463 -0.24924064 0.00005555 0.00004068 -0.00000464 -0.00009928 -0.00002393 0.00000097 0.00001301 0.00001440 0.00001272 -0.00002718 0.00021837 -0.00011900 0.00307504 0.00218152 -0.00693332 -0.11052869 0.02232142 0.26902455 -0.02654840 0.01573140 -0.02017398 -0.00068647 -0.00033482 0.00307790 -0.00234110 -0.00214670 -0.00208367 -0.10023922 0.07195208 -0.08147701 -0.00083882 -0.00024752 -0.00011156 0.00045735 0.00004754 -0.00008058 -0.00000875 -0.00005447 -0.00006371 0.00000933 0.00011230 -0.00134497 0.00095542 -0.00061552 -0.00022850 0.00689791 -0.00717408 0.01037169 0.12234275 -0.00769144 0.00730301 -0.00980841 0.00006616 0.00023030 0.00095987 -0.00207051 0.00060635 -0.00011532 0.07325532 -0.13225120 0.09709537 -0.00028222 -0.00010583 -0.00001829 0.00004533 -0.00005342 -0.00007415 0.00002382 0.00000570 -0.00006951 -0.00025929 0.00007010 0.00038806 0.01417186 -0.01573741 0.01961117 0.00001119 0.00088139 -0.00318054 -0.07727021 0.13905101 0.00023027 0.00042670 0.00172894 -0.00010147 0.00028824 -0.00008208 0.00167169 -0.00068202 -0.00039534 -0.08446838 0.09571931 -0.15047957 -0.00000971 -0.00002849 0.00000760 -0.00007475 -0.00008011 -0.00007276 0.00000169 -0.00001567 -0.00004006 -0.00016203 -0.00009885 0.00011249 0.00552741 -0.00842217 0.00562149 -0.01472910 0.01768128 -0.01922848 0.09211439 -0.10478823 0.16282776 0.00001937 -0.00000134 -0.00020541 0.00002640 -0.00000457 -0.00001511 -0.00015387 -0.00007624 0.00025717 0.00007907 0.00008344 0.00010660 -0.00000883 0.00001143 -0.00001148 -0.00002186 -0.00002159 -0.00001570 0.00001365 0.00004550 0.00000632 0.00006292 0.00001999 -0.00011727 -0.00001409 -0.00006526 -0.00002153 -0.00004166 0.00000009 0.00003611 0.00003889 0.00000855 -0.00001971 -0.000019365 0.000001343 0.000205408 -0.000026405 0.000004568 0.000015109 0.000153869 0.000076242 -0.000257166 -0.000079074 -0.000083441 -0.000106602 0.000008825 -0.000011435 0.000011475 0.000021864 0.000021592 0.000015696 -0.000013648 -0.000045504 -0.000006322 -0.000062924 -0.000019988 0.000117268 0.000014088 0.000065260 0.000021528 0.000041663 -0.000000089 -0.000036107 -0.000038894 -0.000008547 0.000019712 50.0388 AuxInfo=1/0/N:2,4,3,1/CRV:3.3,4.2/rA:11N2CC3CHHHHHHH/rB:;s1s2;s1;s2;s2;s2;s3;s4;s4;s4;/rC:;;;;;;;;;;;